loperamide FDA approved compound

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

An opioid-receptor agonist.

[PubChem] [DrugBank] [Wikipedia] [WikiGenes] [ChEMBL] [ChemSpider] 

PubChem MeSH terms: Antidiarrheals



Source SMILES: standardizedunstandardized
Compound:
Screen ID SGTC_484
Screen concentration 105.0 μM
Source Miscellaneous
PubChem CID 3955
SMILES CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4
Standardized SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4
Molecular weight 477.0375
ALogP 4.64
H-bond donor count 1
H-bond acceptor count 3
Response signature

Pool Growth Kinetics
% growth inhibition (Het. pool) 13.24
% growth inhibition (Hom. pool) 2.77


HIP profile

Heterozygous deletion strains
Scale: fixedexpanded
Heterozygous profile for 3955
Download HIP data (tab-delimited text)  (excel)

HOP profile

Homozygous deletion strains
Scale: fixedexpanded
Homozygous profile for 3955
Download HOP data (tab-delimited text)  (excel)
Gene:AAD6(YFL056C)|FD-Score:3.29|P-value:5.02E-4||SGD DESC:Putative aryl-alcohol dehydrogenase; involved in oxidative stress response; similar to P. chrysosporium aryl-alcohol dehydrogenase; expression induced in cells treated with the mycotoxin patulin Gene:BOI1(YBL085W)|FD-Score:3.52|P-value:2.14E-4||SGD DESC:Protein implicated in polar growth; functionally redundant with Boi2p; interacts with bud-emergence protein Bem1p; contains an SH3 (src homology 3) domain and a PH (pleckstrin homology) domain; relocalizes from bud neck to cytoplasm upon DNA replication stress; BOI1 has a paralog, BOI2, that arose from the whole genome duplication Gene:CDC73(YLR418C)|FD-Score:3.19|P-value:7.21E-4||SGD DESC:Component of the Paf1p complex; binds to and modulates the activity of RNA polymerases I and II; required for expression of certain genes, modification of some histones, and telomere maintenance; involved in transcription elongation as demonstrated by the G-less-based run-on (GLRO) assay; protein abundance increases in response to DNA replication stress Gene:EDS1(YBR033W_p)|FD-Score:4.53|P-value:2.92E-6||SGD DESC:Putative zinc cluster protein, predicted to be a transcription factor; not an essential gene; EDS1 has a paralog, RGT1, that arose from the whole genome duplication Gene:MCM16(YPR046W)|FD-Score:4.17|P-value:1.54E-5||SGD DESC:Component of the Ctf19 complex and the COMA subcomplex; involved in kinetochore-microtubule mediated chromosome segregation; binds to centromere DNA; orthologous to human centromere constitutive-associated network (CCAN) subunit CENP-H and fission yeast fta3 Gene:MRS2(YOR334W)|FD-Score:3.45|P-value:2.81E-4||SGD DESC:Mitochondrial inner membrane Mg(2+) channel, required for maintenance of intramitochondrial Mg(2+) concentrations at the correct level to support splicing of group II introns Gene:PIH1(YHR034C)|FD-Score:3.39|P-value:3.51E-4||SGD DESC:Component of the conserved R2TP complex (Rvb1-Rvb2-Tah1-Pih1); R2TP complex interacts with Hsp90 (Hsp82p and Hsc82p) to mediate assembly large protein complexes such as box C/D snoRNPs and RNA polymerase II Gene:ROD1(YOR018W)|FD-Score:3.6|P-value:1.58E-4||SGD DESC:Membrane protein, binds the ubiquitin ligase Rsp5p via its 2 PY motifs; overexpression confers resistance to the GST substrate o-dinitrobenzene, zinc, and calcium; proposed to regulate the endocytosis of plasma membrane proteins; protein abundance increases in response to DNA replication stress; ROD1 has a paralog, ROG3, that arose from the whole genome duplication Gene:YAL037C-A(YAL037C-A_p)|FD-Score:3.88|P-value:5.12E-5||SGD DESC:Putative protein of unknown function Gene:YBL094C(YBL094C_d)|FD-Score:3.38|P-value:3.67E-4||SGD DESC:Dubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; partially overlaps uncharacterized ORF YBL095W Gene:YDR249C(YDR249C_p)|FD-Score:-3.16|P-value:7.84E-4||SGD DESC:Putative protein of unknown function Gene:YOL098C(YOL098C_p)|FD-Score:4.12|P-value:1.91E-5||SGD DESC:Putative metalloprotease Gene:YOR034C-A(YOR034C-A_p)|FD-Score:-4.04|P-value:2.63E-5||SGD DESC:Putative protein of unknown function; identified by expression profiling and mass spectrometry Gene:YPL038W-A(YPL038W-A_p)|FD-Score:-3.48|P-value:2.53E-4||SGD DESC:Putative protein of unknown function; identified by fungal homology and RT-PCR Gene:AAD6(YFL056C)|FD-Score:3.29|P-value:5.02E-4||SGD DESC:Putative aryl-alcohol dehydrogenase; involved in oxidative stress response; similar to P. chrysosporium aryl-alcohol dehydrogenase; expression induced in cells treated with the mycotoxin patulin Gene:BOI1(YBL085W)|FD-Score:3.52|P-value:2.14E-4||SGD DESC:Protein implicated in polar growth; functionally redundant with Boi2p; interacts with bud-emergence protein Bem1p; contains an SH3 (src homology 3) domain and a PH (pleckstrin homology) domain; relocalizes from bud neck to cytoplasm upon DNA replication stress; BOI1 has a paralog, BOI2, that arose from the whole genome duplication Gene:CDC73(YLR418C)|FD-Score:3.19|P-value:7.21E-4||SGD DESC:Component of the Paf1p complex; binds to and modulates the activity of RNA polymerases I and II; required for expression of certain genes, modification of some histones, and telomere maintenance; involved in transcription elongation as demonstrated by the G-less-based run-on (GLRO) assay; protein abundance increases in response to DNA replication stress Gene:EDS1(YBR033W_p)|FD-Score:4.53|P-value:2.92E-6||SGD DESC:Putative zinc cluster protein, predicted to be a transcription factor; not an essential gene; EDS1 has a paralog, RGT1, that arose from the whole genome duplication Gene:MCM16(YPR046W)|FD-Score:4.17|P-value:1.54E-5||SGD DESC:Component of the Ctf19 complex and the COMA subcomplex; involved in kinetochore-microtubule mediated chromosome segregation; binds to centromere DNA; orthologous to human centromere constitutive-associated network (CCAN) subunit CENP-H and fission yeast fta3 Gene:MRS2(YOR334W)|FD-Score:3.45|P-value:2.81E-4||SGD DESC:Mitochondrial inner membrane Mg(2+) channel, required for maintenance of intramitochondrial Mg(2+) concentrations at the correct level to support splicing of group II introns Gene:PIH1(YHR034C)|FD-Score:3.39|P-value:3.51E-4||SGD DESC:Component of the conserved R2TP complex (Rvb1-Rvb2-Tah1-Pih1); R2TP complex interacts with Hsp90 (Hsp82p and Hsc82p) to mediate assembly large protein complexes such as box C/D snoRNPs and RNA polymerase II Gene:ROD1(YOR018W)|FD-Score:3.6|P-value:1.58E-4||SGD DESC:Membrane protein, binds the ubiquitin ligase Rsp5p via its 2 PY motifs; overexpression confers resistance to the GST substrate o-dinitrobenzene, zinc, and calcium; proposed to regulate the endocytosis of plasma membrane proteins; protein abundance increases in response to DNA replication stress; ROD1 has a paralog, ROG3, that arose from the whole genome duplication Gene:YAL037C-A(YAL037C-A_p)|FD-Score:3.88|P-value:5.12E-5||SGD DESC:Putative protein of unknown function Gene:YBL094C(YBL094C_d)|FD-Score:3.38|P-value:3.67E-4||SGD DESC:Dubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; partially overlaps uncharacterized ORF YBL095W Gene:YDR249C(YDR249C_p)|FD-Score:-3.16|P-value:7.84E-4||SGD DESC:Putative protein of unknown function Gene:YOL098C(YOL098C_p)|FD-Score:4.12|P-value:1.91E-5||SGD DESC:Putative metalloprotease Gene:YOR034C-A(YOR034C-A_p)|FD-Score:-4.04|P-value:2.63E-5||SGD DESC:Putative protein of unknown function; identified by expression profiling and mass spectrometry Gene:YPL038W-A(YPL038W-A_p)|FD-Score:-3.48|P-value:2.53E-4||SGD DESC:Putative protein of unknown function; identified by fungal homology and RT-PCR

Click on Significant Values for Strain Details

Top 15 HET fitness defect scores (HIP)

Download all HIP Data (tab-delimited text)  (excel)
Deletion Strain FD score P-value Clearance Gene Gene Description
YPR137W3.167.76E-40.39RRP9Protein involved in pre-rRNA processing, associated with U3 snRNP; component of small ribosomal subunit (SSU) processosome; ortholog of the human U3-55k protein
YNR054C2.930.001680.39ESF2Essential nucleolar protein involved in pre-18S rRNA processing; binds to RNA and stimulates ATPase activity of Dbp8; involved in assembly of the small subunit (SSU) processome
YDL014W2.540.005540.03NOP1Nucleolar protein, component of the small subunit processome complex, which is required for processing of pre-18S rRNA; has similarity to mammalian fibrillarin
YAL034C-B_d2.510.005990.17YAL034C-B_dDubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data
YPL146C2.350.009500.02NOP53Nucleolar protein; involved in biogenesis of the 60S subunit of the ribosome; interacts with rRNA processing factors Cbf5p and Nop2p; null mutant is viable but growth is severely impaired
YGL092W2.330.010000.05NUP145Essential protein with distinct roles in two nuclear pore subcomplexes; catalyzes its own proteolytic cleavage in vivo to generate a C-terminal fragment that is a structural component of the Nup84p subcomplex (with roles in NPC biogenesis and localization of genes to the nuclear periphery), and an N-terminal fragment that is one of several FG-nucleoporins within the NPC central core directly responsible for nucleocytoplasmic transport; homologous to human NUP98
YBR123C2.270.011500.05TFC1One of six subunits of the RNA polymerase III transcription initiation factor complex (TFIIIC); part of the TauA globular domain of TFIIIC that binds DNA at the BoxA promoter sites of tRNA and similar genes; human homolog is TFIIIC-63
YML105C2.230.012900.00SEC65Subunit of the signal recognition particle (SRP), involved in protein targeting to the ER; interacts with Srp54p; homolog of mammalian SRP19
YOL022C2.220.013100.05TSR4Cytoplasmic protein required for correct processing of the 20S pre-rRNA at site D to generate mature 18S rRNA; essential gene in S288C background but not in CEN.PK2
YDR188W2.180.014800.01CCT6Subunit of the cytosolic chaperonin Cct ring complex, related to Tcp1p, essential protein that is required for the assembly of actin and tubulins in vivo; contains an ATP-binding motif
YGR094W2.170.015000.01VAS1Mitochondrial and cytoplasmic valyl-tRNA synthetase
YOR249C2.160.015400.02APC5Subunit of the Anaphase-Promoting Complex/Cyclosome (APC/C); APC/C is a ubiquitin-protein ligase required for degradation of anaphase inhibitors, including mitotic cyclins, during the metaphase/anaphase transition; component of the platform domain of the APC/C, based on structural analysis; relative distribution to nuclear foci decreases upon DNA replication stress
YMR079W2.140.016100.07SEC14Phosphatidylinositol/phosphatidylcholine transfer protein; involved in regulating PtdIns, PtdCho, and ceramide metabolism, products of which regulate intracellular transport and UPR; has a role in localization of lipid raft proteins; functionally homologous to mammalian PITPs
YGR195W2.070.019300.06SKI6Exosome non-catalytic core component; involved in 3'-5' RNA processing and degradation in both the nucleus and the cytoplasm; has similarity to E. coli RNase PH and to human hRrp41p (EXOSC4)
YPL235W2.010.022300.06RVB2ATP-dependent DNA helicase, also known as reptin; member of the AAA+ and RuvB protein families, similar to Rvb1p; conserved component of multiple complexes including the INO80 complex, the Swr1 complex, and the R2TP complex (Rvb1-Rvb2-Tah1-Pih1); involved in multiple processes such as chromatin remodeling, box C/D snoRNP assembly, and RNA polymerase II assembly

Top 15 HOM fitness defect scores (HOP)

Download all HOP Data (tab-delimited text)  (excel)
Deletion Strain FD score P-value Gene Gene Description
YBR033W_p4.532.92E-6EDS1_pPutative zinc cluster protein, predicted to be a transcription factor; not an essential gene; EDS1 has a paralog, RGT1, that arose from the whole genome duplication
YPR046W4.171.54E-5MCM16Component of the Ctf19 complex and the COMA subcomplex; involved in kinetochore-microtubule mediated chromosome segregation; binds to centromere DNA; orthologous to human centromere constitutive-associated network (CCAN) subunit CENP-H and fission yeast fta3
YOL098C_p4.121.91E-5YOL098C_pPutative metalloprotease
YAL037C-A_p3.885.12E-5YAL037C-A_pPutative protein of unknown function
YOR018W3.601.58E-4ROD1Membrane protein, binds the ubiquitin ligase Rsp5p via its 2 PY motifs; overexpression confers resistance to the GST substrate o-dinitrobenzene, zinc, and calcium; proposed to regulate the endocytosis of plasma membrane proteins; protein abundance increases in response to DNA replication stress; ROD1 has a paralog, ROG3, that arose from the whole genome duplication
YBL085W3.522.14E-4BOI1Protein implicated in polar growth; functionally redundant with Boi2p; interacts with bud-emergence protein Bem1p; contains an SH3 (src homology 3) domain and a PH (pleckstrin homology) domain; relocalizes from bud neck to cytoplasm upon DNA replication stress; BOI1 has a paralog, BOI2, that arose from the whole genome duplication
YOR334W3.452.81E-4MRS2Mitochondrial inner membrane Mg(2+) channel, required for maintenance of intramitochondrial Mg(2+) concentrations at the correct level to support splicing of group II introns
YHR034C3.393.51E-4PIH1Component of the conserved R2TP complex (Rvb1-Rvb2-Tah1-Pih1); R2TP complex interacts with Hsp90 (Hsp82p and Hsc82p) to mediate assembly large protein complexes such as box C/D snoRNPs and RNA polymerase II
YBL094C_d3.383.67E-4YBL094C_dDubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; partially overlaps uncharacterized ORF YBL095W
YFL056C3.295.02E-4AAD6Putative aryl-alcohol dehydrogenase; involved in oxidative stress response; similar to P. chrysosporium aryl-alcohol dehydrogenase; expression induced in cells treated with the mycotoxin patulin
YLR418C3.197.21E-4CDC73Component of the Paf1p complex; binds to and modulates the activity of RNA polymerases I and II; required for expression of certain genes, modification of some histones, and telomere maintenance; involved in transcription elongation as demonstrated by the G-less-based run-on (GLRO) assay; protein abundance increases in response to DNA replication stress
YOR288C3.090.00102MPD1Member of the protein disulfide isomerase (PDI) family; interacts with and inhibits the chaperone activity of Cne1p; MPD1 overexpression in a pdi1 null mutant suppresses defects in Pdi1p functions such as carboxypeptidase Y maturation
YFR019W3.080.00104FAB11-phosphatidylinositol-3-phosphate 5-kinase; vacuolar membrane kinase that generates phosphatidylinositol (3,5)P2, which is involved in vacuolar sorting and homeostasis
YKR090W3.000.00136PXL1Protein that localizes to sites of polarized growth; required for selection and/or maintenance of polarized growth sites, may modulate signaling by the GTPases Cdc42p and Rho1p; contains LIM domains and has similarity to metazoan paxillin; relocalizes from bud neck to cytoplasm upon DNA replication stress
YMR161W2.820.00239HLJ1Co-chaperone for Hsp40p, anchored in the ER membrane; with its homolog Ydj1p promotes ER-associated protein degradation (ERAD) of integral membrane substrates; similar to E. coli DnaJ

GO enrichment analysis for SGTC_484
No biological processes are significantly enriched (FDR < 0.1).

No protein complexes are significantly enriched (FDR < 0.1).

Coinhibitory screens
Download Coinhibition data (tab-delimited text)  (excel)

Correlation pval Screen ID Condition Source PubChem
CID
Tanimoto
Score
Response
Signature
0.1019.06E-15SGTC_479n-linoleoylglycine 10.0 μMICCB bioactive library64333460.0789474
0.0832.00E-10SGTC_30059076496 71.4 μMChembridge (Drug-like library)213684100.133333
0.0756.41E-9SGTC_13812324-0066 62.1 μMChemDiv (Drug-like library)108859280.113636
0.0663.80E-7SGTC_1878temozolomide 1.0 mMMiscellaneous53940.0945946
0.0621.75E-6SGTC_482fipronil 114.0 μMICCB bioactive library33520.0833333
0.0612.31E-6SGTC_29279011802 47.9 μMChembridge (Drug-like library)439125680.075
0.0603.89E-6SGTC_33409146634 11.1 μMChembridge (Drug-like library)49073870.178571
0.0595.19E-6SGTC_6800417-1641 114.0 μMChemDiv (Drug-like library)28359900.168831RPP1 & pyrimidine depletion
0.0595.39E-6SGTC_22216807166 181.1 μMChembridge (Fragment library)6749250.150685
0.0587.87E-6SGTC_10174239-0030 168.0 μMChemDiv (Drug-like library)11495930.197368
0.0589.05E-6SGTC_23659042475 200.0 μMChembridge (Fragment library)64644790.135135
0.0561.44E-5SGTC_23699071472 200.0 μMChembridge (Fragment library)172960370.0895522
0.0552.15E-5SGTC_6751309-0189 238.0 μMChemDiv (Drug-like library)42465300.152941
0.0534.69E-5SGTC_476mead acid 10.0 μMICCB bioactive library53125310.0869565
0.0526.01E-5SGTC_29459067681 61.8 μMChembridge (Drug-like library)164569300.175

Screens with compounds having similar structures
Screen ID Chemical Concentration Tanimoto Score PubChem ID Source Molecular Weight AlogP H-bond
donor
count
H-bond
acceptor
count
Response
Signature
SGTC_2249haloperidol116.36 μM0.4603173559Miscellaneous375.8642233.88714ergosterol depletion effects on membrane
SGTC_258haloperidol50.78 μM0.4603173559Miscellaneous375.8642233.88714fatty acid desaturase (OLE1)
SGTC_2725haloperidol53.21 μM0.4603173559Miscellaneous375.8642233.88714plasma membrane duress
SGTC_2993905425771.43 μM0.2878796470217Chembridge (Drug-like library)343.850483.16113fatty acid desaturase (OLE1)
SGTC_3033909088749.47 μM0.28787919325384Chembridge (Drug-like library)342.862423.9402fatty acid desaturase (OLE1)
SGTC_2921797424010.71 μM0.2794122979074Chembridge (Drug-like library)397.724423.46124
SGTC_2734clemastine41.6 μM0.26760626987Miscellaneous343.890244.80602ERG2
SGTC_2767sibutramine71.45 μM0.26562564765NIH Clinical Collection334.324265.3522
SGTC_2835900658871.43 μM0.2647062345538Chembridge (Drug-like library)300.782683.27912
SGTC_2838900268771.43 μM0.2638896457060Chembridge (Drug-like library)357.877063.64713fatty acid desaturase (OLE1)
SGTC_8053852-0218479 μM0.2439026615355ChemDiv (Drug-like library)417.799843.26117ERAD & cell cycle
SGTC_11574092-039427.6 μM0.243659885ChemDiv (Drug-like library)358.861823.7703