Detailed information for compound 1049739

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 709.86 | Formula: C37H61BrN2O4S
  • H donors: 1 H acceptors: 3 LogP: 9.39 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCC1(CCCC)CS(=O)(=O)c2c([C@H]([C@H]1O)c1cccc(c1)OCCCCC[N+](CC)(CC)CC)cc(cc2)N(C)C.[Br-]
  • InChi: 1S/C37H61N2O4S.BrH/c1-8-13-23-37(24-14-9-2)29-44(41,42)34-22-21-31(38(6)7)28-33(34)35(36(37)40)30-19-18-20-32(27-30)43-26-17-15-16-25-39(10-3,11-4)12-5;/h18-22,27-28,35-36,40H,8-17,23-26,29H2,1-7H3;1H/q+1;/p-1/t35-,36-;/m1./s1
  • InChiKey: KCGIHUFWXOAFHI-OZBLHQGLSA-M  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 10 (sodium/bile acid cotransporter), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis sodium bile acid cotransporter Get druggable targets OG5_128996 All targets in OG5_128996
Echinococcus granulosus sodium bile acid cotransporter Get druggable targets OG5_128996 All targets in OG5_128996
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128996 All targets in OG5_128996
Schistosoma japonicum ko:K03453 bile acid:Na+ symporter, BASS family, putative Get druggable targets OG5_128996 All targets in OG5_128996
Echinococcus granulosus sodium bile acid cotransporter Get druggable targets OG5_128996 All targets in OG5_128996
Schistosoma mansoni sodium-bile acid cotransporter Get druggable targets OG5_128996 All targets in OG5_128996
Brugia malayi Sodium Bile acid symporter family protein Get druggable targets OG5_128996 All targets in OG5_128996
Onchocerca volvulus Get druggable targets OG5_128996 All targets in OG5_128996
Schistosoma mansoni sodium-bile acid cotransporter related Get druggable targets OG5_128996 All targets in OG5_128996
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_128996 All targets in OG5_128996
Echinococcus granulosus sodium bile acid cotransporter Get druggable targets OG5_128996 All targets in OG5_128996
Echinococcus multilocularis sodium bile acid cotransporter Get druggable targets OG5_128996 All targets in OG5_128996
Echinococcus multilocularis sodium bile acid cotransporter Get druggable targets OG5_128996 All targets in OG5_128996
Schistosoma japonicum IPR002657,Bile acid:sodium symporter,domain-containing Get druggable targets OG5_128996 All targets in OG5_128996

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.0513 0.0513
Brugia malayi hypothetical protein 0.0012 0.0025 0.0074
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0012 0.0025 0.0074
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0026 0.0198 0.0668
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.0513 0.1752
Schistosoma mansoni neurotransmitter gated ion channel 0.0012 0.0025 0.0071
Onchocerca volvulus Putative nachr subunit 0.0026 0.0198 0.0668
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0173 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0098 0.0326
Echinococcus granulosus glycine receptor subunit alpha 1 0.0026 0.0198 0.0678
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0026 0.0198 0.0668
Echinococcus granulosus nAChR subunit 0.0026 0.0198 0.0678
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0003 0.0011
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0003 0.0009
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0026 0.0198 0.0198
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0026 0.0198 0.0678
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0173 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0003 0.0011
Schistosoma mansoni nAChR subunit 0.0026 0.0198 0.0565
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0026 0.0198 0.0565
Onchocerca volvulus 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0513 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0513 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0014 0.005 0.016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0448 0.1281
Loa Loa (eye worm) GABA receptor subunit 0.0014 0.005 0.016
Trypanosoma brucei protein kinase, putative 0.0052 0.0513 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0026 0.0198 0.0678
Echinococcus granulosus sodium bile acid cotransporter 0.0247 0.2913 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0026 0.0198 0.0565
Echinococcus granulosus sodium bile acid cotransporter 0.0247 0.2913 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0012 0.0025 0.0074
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0014 0.005 0.016
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0473 0.1351
Schistosoma mansoni nAChR subunit 0.0026 0.0198 0.0565
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0026 0.0198 0.0565
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0012 0.0025 0.0025
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0513 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0098 0.5
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0012 0.0025 0.0074
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0003 0.0009
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Schistosoma mansoni acetylcholine receptor-related 0.0012 0.0025 0.0071
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0513 0.1468
Schistosoma mansoni hypothetical protein 0.0295 0.3497 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0003 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0448 0.1281
Loa Loa (eye worm) acetylcholine receptor protein 0.0012 0.0025 0.0074
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0271 0.0271
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0003 0.0011
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0012 0.0025 0.0074
Schistosoma mansoni hypothetical protein 0.0032 0.0271 0.0775
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0026 0.0198 0.0668
Echinococcus multilocularis glycine receptor subunit beta 0.0026 0.0198 0.0198
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0026 0.0198 0.0668
Schistosoma mansoni nAChR subunit 0.0026 0.0198 0.0565
Brugia malayi excitatory GABA receptor EXP-1A 0.0026 0.0198 0.0668
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0003 0.0009
Echinococcus granulosus glycine receptor subunit beta 0.0026 0.0198 0.0678
Echinococcus granulosus sodium bile acid cotransporter 0.0247 0.2913 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Schistosoma mansoni nAChR subunit 0.0026 0.0198 0.0565
Brugia malayi hypothetical protein 0.0012 0.0025 0.0074
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0003 0.0003
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0003 0.0003
Onchocerca volvulus 0.0012 0.0025 0.0074
Schistosoma mansoni nAChR subunit 0.0026 0.0198 0.0565
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.016
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Echinococcus granulosus glycine receptor subunit alpha 1 0.0026 0.0198 0.0678
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0448 0.0448
Schistosoma mansoni neurotransmitter gated ion channel 0.0014 0.005 0.0142
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0012 0.0025 0.0074
Loa Loa (eye worm) hypothetical protein 0.0024 0.0173 0.0584
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.0513 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0026 0.0198 0.0678
Brugia malayi Cation transporter family protein 0.0026 0.0198 0.0668
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0098 0.139
Onchocerca volvulus 0.0026 0.0198 0.0668
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0026 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0012 0.0025 0.0074
Schistosoma mansoni nAChR subunit 0.0012 0.0025 0.0071
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0473 0.1622
Schistosoma mansoni sodium-bile acid cotransporter 0.0147 0.1682 0.481
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0026 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0173 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0003 0.0003
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0728 0.249
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.016
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0473 0.1613
Brugia malayi hypothetical protein 0.0012 0.0025 0.0074
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Onchocerca volvulus 0.0026 0.0198 0.0668
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0473 0.1613
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0173 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Schistosoma mansoni coup transcription factor 0.001 0.0003 0.0009
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0026 0.0198 0.0668
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0003 0.0003
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0026 0.0198 0.0198
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.0513 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0026 0.0198 0.0565
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0172 0.1992 0.5698
Brugia malayi hypothetical protein 0.0012 0.0025 0.0074
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0012 0.0025 0.0074
Loa Loa (eye worm) hypothetical protein 0.0055 0.0555 0.1896
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0513 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0448 0.1529
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0014 0.005 0.016
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0014 0.005 0.0142
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0003 0.0011
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.0513 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.0513 0.5
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0012 0.0025 0.0086
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Brugia malayi Cation transporter family protein 0.0026 0.0198 0.0668
Onchocerca volvulus 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0032 0.0271 0.092
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0026 0.0198 0.0668
Onchocerca volvulus 0.0026 0.0198 0.0668
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0026 0.0198 0.0668
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0173 0.5
Echinococcus granulosus glycine receptor subunit beta 0.0026 0.0198 0.0678
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0003 0.0011
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0271 0.093
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0012 0.0025 0.0086
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0026 0.0198 0.0668
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0003 0.0011
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0012 0.0025 0.0025
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0012 0.0025 0.0025
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0003 0.0003
Entamoeba histolytica hypothetical protein 0.0014 0.005 0.2874
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0473 0.0473
Echinococcus multilocularis GPCR, family 2 0.0032 0.0271 0.0271
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0026 0.0198 0.0565
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0555 0.1905
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.0513 0.5
Mycobacterium ulcerans hypothetical protein 0.0024 0.0173 1
Loa Loa (eye worm) ACC-1 protein 0.0026 0.0198 0.0668
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0026 0.0198 0.0668
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0173 1
Echinococcus granulosus FTZ F1 alpha 0.001 0.0003 0.0011
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.0513 1
Onchocerca volvulus 0.0012 0.0025 0.0074
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0003 0.0011
Loa Loa (eye worm) hypothetical protein 0.0049 0.0473 0.1613
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0555 0.0555
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0191 0.2224 0.7633
Echinococcus granulosus GPCR family 2 0.0032 0.0271 0.093
Echinococcus granulosus nAChR subunit 0.0014 0.005 0.0171
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.1122 0.3844
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0271 0.093
Schistosoma mansoni nAChR subunit 0.0026 0.0198 0.0565
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0555 0.1905
Echinococcus multilocularis nAChR subunit 0.0026 0.0198 0.0198
Onchocerca volvulus 0.0024 0.0173 0.0584
Echinococcus multilocularis sodium bile acid cotransporter 0.0247 0.2913 0.2913
Loa Loa (eye worm) hypothetical protein 0.0018 0.0098 0.0326
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Schistosoma mansoni thyroid hormone receptor 0.001 0.0003 0.0009
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0026 0.0198 0.0668
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0026 0.0198 0.0668
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0003 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0448 0.1281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0448 0.0448
Schistosoma mansoni hypothetical protein 0.0032 0.0271 0.0775
Schistosoma mansoni hypothetical protein 0.0032 0.0271 0.0775
Brugia malayi Sodium Bile acid symporter family protein 0.0247 0.2913 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0026 0.0198 0.0668
Brugia malayi mbt repeat family protein 0.0049 0.0473 0.1613
Schistosoma mansoni nAChR subunit 0.0012 0.0025 0.0071
Loa Loa (eye worm) hypothetical protein 0.0247 0.2913 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0012 0.0025 0.0071
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0026 0.0198 0.0668
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0026 0.0198 0.0565
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0026 0.0198 0.0678
Echinococcus granulosus geminin 0.0172 0.1992 0.684
Loa Loa (eye worm) hypothetical protein 0.0024 0.0173 0.0584
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Schistosoma mansoni hypothetical protein 0.0032 0.0271 0.0775
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0024 0.0173 0.0584
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.016
Brugia malayi hypothetical protein 0.0012 0.0025 0.0074
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0173 0.0584
Echinococcus multilocularis sodium bile acid cotransporter 0.0247 0.2913 0.2913
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0473 0.1351
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0173 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0026 0.0198 0.0198
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0513 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0448 0.1538
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.0513 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0173 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0026 0.0198 0.0668
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Schistosoma mansoni acetylcholine receptor subunit beta 0.0012 0.0025 0.0071
Onchocerca volvulus 0.0012 0.0025 0.0074
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0271 0.092
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0173 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0003 0.0009
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0513 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0555 0.1587
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0026 0.0198 0.0668
Schistosoma mansoni hypothetical protein 0.0069 0.0728 0.2082
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0271 0.0271
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0026 0.0198 0.0678
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.016
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0003 0.0009
Schistosoma mansoni nAChR subunit 0.0026 0.0198 0.0565
Brugia malayi MAP kinase sur-1 0.0052 0.0513 0.1752
Brugia malayi mbt repeat family protein 0.0049 0.0473 0.1613
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0026 0.0198 0.0198
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0173 0.0584
Echinococcus multilocularis glycine receptor subunit beta 0.0026 0.0198 0.0198
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.1122 0.3844
Loa Loa (eye worm) MBCTL1 0.0055 0.0555 0.1896
Onchocerca volvulus 0.0247 0.2913 1
Echinococcus multilocularis nAChR subunit 0.0014 0.005 0.005
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0003 0.0003
Loa Loa (eye worm) ACC-1 protein 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.0513 0.1762
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0473 0.1622
Loa Loa (eye worm) hypothetical protein 0.0101 0.1122 0.3844
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0026 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0448 0.1538
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0271 0.092
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0026 0.0198 0.0198
Echinococcus multilocularis sodium bile acid cotransporter 0.0247 0.2913 0.2913
Echinococcus multilocularis geminin 0.0172 0.1992 0.1992
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.0513 0.1762
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Loa Loa (eye worm) hypothetical protein 0.0018 0.0098 0.0326
Schistosoma mansoni sodium-bile acid cotransporter related 0.0247 0.2913 0.833
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.016
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.0513 0.0513
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0173 1
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0473 0.1351
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0026 0.0198 0.0678
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0026 0.0198 0.0668
Onchocerca volvulus 0.0014 0.005 0.016
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.016
Onchocerca volvulus 0.0049 0.0473 0.1613
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Loa Loa (eye worm) hypothetical protein 0.0069 0.0728 0.249
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0271 0.092
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0173 0.5
Onchocerca volvulus 0.0014 0.005 0.016
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0014 0.005 0.016
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.016
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0473 0.0473
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0098 1
Loa Loa (eye worm) LGC-31 protein 0.0026 0.0198 0.0668
Schistosoma mansoni thyroid hormone receptor 0.001 0.0003 0.0009
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.1122 0.3844
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0012 0.0025 0.0074
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0098 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0014 0.005 0.0142
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0026 0.0198 0.0668
Onchocerca volvulus 0.0026 0.0198 0.0668
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0448 0.1529
Schistosoma mansoni sodium-bile acid cotransporter related 0.01 0.1108 0.3169
Loa Loa (eye worm) hypothetical protein 0.0012 0.0025 0.0074
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0003 0.0003
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0555 0.1896
Schistosoma mansoni hypothetical protein 0.0172 0.1992 0.5698
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0173 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0173 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0003 0.0011
Brugia malayi Cation transporter family protein 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0026 0.0198 0.0678
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0026 0.0198 0.0678
Schistosoma mansoni nuclear hormone receptor 0.001 0.0003 0.0009
Loa Loa (eye worm) hypothetical protein 0.0026 0.0198 0.0668
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0026 0.0198 0.0668
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0018 0.0098 0.0326
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0173 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0026 0.0198 0.0678
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0191 0.2224 0.2224
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0173 0.0584
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0026 0.0198 0.0198
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0003 0.0009
Loa Loa (eye worm) hypothetical protein 0.0018 0.0098 0.0326
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0003 0.0009
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0026 0.0198 0.0198
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0026 0.0198 0.0668
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.016

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 nM In vitro inhibition of ASBT mediated uptake of [14C]-taurocholate (5 uM) in baby hamster cells expressing human IBAT ChEMBL. 16134951

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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