Detailed information for compound 213356

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 651.343 | Formula: C34H55ClN4O4S
  • H donors: 2 H acceptors: 4 LogP: 6.69 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(c2)NC(=O)C[N+](CC)(CC)CC)c2c(S(=O)(=O)N1C)ccc(c2)N(C)C.[Cl-]
  • InChi: 1S/C34H54N4O4S.ClH/c1-9-14-21-34(22-15-10-2)33(40)32(29-24-28(36(6)7)19-20-30(29)43(41,42)37(34)8)26-17-16-18-27(23-26)35-31(39)25-38(11-3,12-4)13-5;/h16-20,23-24,32-33,40H,9-15,21-22,25H2,1-8H3;1H/t32-,33-;/m1./s1
  • InChiKey: BKNVSEBALAXVNB-ZNBLAKOKSA-N  


Substructure search Similarity search

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 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
Loa Loa (eye worm) hypothetical protein 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
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
Echinococcus multilocularis sodium bile acid cotransporter 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
Onchocerca volvulus 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
Schistosoma mansoni sodium-bile acid cotransporter related 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
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
Plasmodium falciparum basic transcription factor 3b, putative 0.0021 0.0125 0.044
Echinococcus multilocularis importin subunit beta 1 0.0018 0.0096 0.0096
Brugia malayi beta-NAC-like protein 0.0021 0.0125 0.0292
Trypanosoma cruzi transcription factor btf3, putative 0.0021 0.0125 0.0198
Echinococcus granulosus FTZ F1 alpha 0.0019 0.0101 0.0101
Echinococcus multilocularis geminin 0.0108 0.1114 0.1114
Brugia malayi Sodium Bile acid symporter family protein 0.0247 0.2693 0.6292
Brugia malayi Inositol-1 0.0022 0.0138 0.0323
Trichomonas vaginalis esterase, putative 0.0023 0.0145 0.0646
Mycobacterium tuberculosis Probable lipase LipD 0.0023 0.0145 0.0229
Plasmodium vivax basic transcription factor 3b, putative 0.0021 0.0125 0.8109
Loa Loa (eye worm) hypothetical protein 0.0018 0.0096 0.0104
Loa Loa (eye worm) hypothetical protein 0.0124 0.1292 0.1394
Schistosoma mansoni transcription factor btf3 0.0021 0.0125 0.0125
Entamoeba histolytica hypothetical protein 0.0021 0.0125 0.8623
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0014 0.0041 0.0096
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0196 0.2116 0.2283
Loa Loa (eye worm) hypothetical protein 0.0023 0.0145 0.0156
Mycobacterium ulcerans esterase/lipase LipP 0.0023 0.0145 0.0055
Schistosoma mansoni hypothetical protein 0.0182 0.195 0.195
Leishmania major hypothetical protein, conserved 0.0023 0.0145 0.0244
Schistosoma mansoni carbonic anhydrase-related 0.0182 0.195 0.195
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0387 0.4279 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0019 0.0101 0.0235
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0387 0.4279 0.4279
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0022 0.0138 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.002 0.0109 0.0354
Loa Loa (eye worm) hypothetical protein 0.0019 0.0101 0.0109
Brugia malayi latrophilin 2 splice variant baaae 0.0085 0.0847 0.198
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0032 0.0256 0.0506
Loa Loa (eye worm) hypothetical protein 0.0115 0.1194 0.1289
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0387 0.4279 0.4616
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0136 0.143 0.1543
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0182 0.195 0.2104
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0019 0.0101 0.0235
Echinococcus granulosus sodium bile acid cotransporter 0.0247 0.2693 0.2693
Schistosoma mansoni hypothetical protein 0.0039 0.0332 0.0332
Mycobacterium tuberculosis Conserved protein 0.0023 0.0145 0.0229
Echinococcus granulosus fetal alzheimer antigen falz 0.0014 0.0041 0.0041
Brugia malayi TAR-binding protein 0.004 0.0346 0.0809
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0039 0.0332 0.0775
Schistosoma mansoni tar DNA-binding protein 0.004 0.0346 0.0346
Loa Loa (eye worm) ICD-1 protein 0.0021 0.0125 0.0135
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 0.0708 0.5049
Schistosoma mansoni retinoic acid receptor RXR 0.0019 0.0101 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0019 0.0101 0.0109
Mycobacterium leprae Probable lipase LipE 0.0023 0.0145 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0022 0.0138 0.051
Trypanosoma cruzi importin beta-1 subunit, putative 0.0015 0.0057 0.0037
Schistosoma mansoni inositol monophosphatase 0.0022 0.0138 0.0138
Loa Loa (eye worm) beta-lactamase 0.0023 0.0145 0.0156
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0023 0.0145 0.0338
Leishmania major carbonic anhydrase-like protein 0.0387 0.4279 1
Schistosoma mansoni tar DNA-binding protein 0.004 0.0346 0.0346
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0145 0.0244
Echinococcus multilocularis tar DNA binding protein 0.004 0.0346 0.0346
Schistosoma mansoni aldehyde dehydrogenase 0.0072 0.0708 0.0708
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0019 0.0101 0.0109
Loa Loa (eye worm) RNA binding protein 0.004 0.0346 0.0373
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0225 0.0225
Echinococcus granulosus tar DNA binding protein 0.004 0.0346 0.0346
Echinococcus granulosus neuropeptide receptor A26 0.0278 0.3046 0.3046
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0022 0.0138 0.023
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0022 0.0138 0.0608
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0019 0.0101 0.0101
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.004 0.0346 0.0373
Mycobacterium tuberculosis Conserved hypothetical protein 0.0122 0.1267 0.8141
Toxoplasma gondii aldehyde dehydrogenase 0.0072 0.0708 0.3494
Echinococcus multilocularis sodium bile acid cotransporter 0.0247 0.2693 0.2693
Brugia malayi nuclear hormone receptor 0.0019 0.0101 0.0235
Loa Loa (eye worm) hypothetical protein 0.0247 0.2693 0.2905
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0019 0.01 0.01
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0015 0.0057 0.0098
Schistosoma mansoni bromodomain containing protein 0.0038 0.0317 0.0317
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0101 0.0101
Toxoplasma gondii HEAT repeat-containing protein 0.0018 0.0096 0.0289
Echinococcus multilocularis neuropeptide receptor A26 0.0278 0.3046 0.3046
Loa Loa (eye worm) inositol-1 0.0022 0.0138 0.0149
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0015 0.0057 0.0098
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.002 0.0109 0.0109
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0032 0.0256 0.0506
Schistosoma mansoni sodium-bile acid cotransporter 0.0147 0.1555 0.1555
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0014 0.0041 0.0044
Trichomonas vaginalis inositol monophosphatase, putative 0.0022 0.0138 0.0608
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0101 0.0101
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0145 0.0646
Loa Loa (eye worm) hypothetical protein 0.0042 0.0368 0.0397
Loa Loa (eye worm) hypothetical protein 0.0023 0.0145 0.0156
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0039 0.0332 0.0332
Plasmodium vivax importin-beta 2, putative 0.0018 0.0096 0.5323
Echinococcus granulosus carbonic anhydrase II 0.0387 0.4279 0.4279
Schistosoma mansoni tar DNA-binding protein 0.004 0.0346 0.0346
Schistosoma mansoni hypothetical protein 0.0085 0.0847 0.0847
Trypanosoma brucei importin beta-1 subunit, putative 0.0018 0.0096 0.013
Loa Loa (eye worm) hypothetical protein 0.003 0.0225 0.0242
Brugia malayi Pre-SET motif family protein 0.0136 0.143 0.3342
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0387 0.4279 0.4279
Loa Loa (eye worm) hypothetical protein 0.0019 0.0101 0.0109
Brugia malayi N-terminal motif family protein 0.0115 0.1194 0.2791
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0115 0.1194 0.422
Loa Loa (eye worm) MH2 domain-containing protein 0.0076 0.0752 0.0811
Loa Loa (eye worm) PHD-finger family protein 0.0012 0.0028 0.003
Loa Loa (eye worm) hypothetical protein 0.0085 0.0847 0.0914
Echinococcus granulosus methyl CpG binding domain protein 2 0.001 0.0003 0.0003
Schistosoma mansoni microtubule-associated protein tau 0.0891 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0023 0.0145 0.0229
Onchocerca volvulus 0.0029 0.022 0.046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0019 0.0101 0.0109
Loa Loa (eye worm) TAR-binding protein 0.004 0.0346 0.0373
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0019 0.0101 0.0235
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0019 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0029 0.022 0.0237
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0022 0.0138 1
Echinococcus multilocularis zinc finger protein 0.0012 0.002 0.002
Leishmania major mitochondrial DNA polymerase beta 0.0231 0.2506 0.5817
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0387 0.4279 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0022 0.0132 0.0132
Schistosoma mansoni RAR-like nuclear receptor 0.0019 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0019 0.0101 0.0109
Leishmania major basic transcription factor 3a, putative 0.0021 0.0125 0.0198
Echinococcus multilocularis sodium bile acid cotransporter 0.0247 0.2693 0.2693
Echinococcus multilocularis carbonic anhydrase II 0.0387 0.4279 0.4279
Schistosoma mansoni carbonic anhydrase-related 0.0182 0.195 0.195
Echinococcus granulosus importin subunit beta 1 0.0018 0.0096 0.0096
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0231 0.2506 0.5817
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0109 0.1127 0.2562
Onchocerca volvulus 0.0096 0.0981 0.3398
Loa Loa (eye worm) hypothetical protein 0.0023 0.0145 0.0156
Entamoeba histolytica hypothetical protein 0.0015 0.0057 0.1606
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.002 0.0109 0.0109
Schistosoma mansoni methyl-cpg binding protein mbd 0.001 0.0003 0.0003
Schistosoma mansoni methyl-cpg binding protein mbd 0.001 0.0003 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0019 0.0101 0.0109
Loa Loa (eye worm) hypothetical protein 0.0019 0.0101 0.0109
Schistosoma mansoni ran 0.0014 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0196 0.2116 0.2116
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0014 0.0041 0.5
Echinococcus granulosus sodium bile acid cotransporter 0.0247 0.2693 0.2693
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0387 0.4279 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0125 0.0524
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0023 0.0145 0.0156
Brugia malayi Bromodomain containing protein 0.0045 0.0397 0.0928
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0022 0.0138 0.0608
Onchocerca volvulus 0.0247 0.2693 1
Schistosoma mansoni zinc finger protein 0.0012 0.002 0.002
Schistosoma mansoni carbonic anhydrase 0.0182 0.195 0.195
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0014 0.0041 0.0041
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0182 0.195 0.4558
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0101 0.0101
Echinococcus multilocularis sodium bile acid cotransporter 0.0247 0.2693 0.2693
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0072 0.0708 0.0708
Loa Loa (eye worm) steroid hormone receptor 0.0019 0.0101 0.0109
Echinococcus granulosus geminin 0.0108 0.1114 0.1114
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0145 1
Entamoeba histolytica transcription factor BTF3, putative 0.0021 0.0125 0.8623
Mycobacterium tuberculosis Conserved protein 0.0023 0.0145 0.0229
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0101 0.0235
Brugia malayi hypothetical protein 0.0096 0.0981 0.2294
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0019 0.0101 0.0101
Brugia malayi beta-lactamase family protein 0.0023 0.0145 0.0338
Plasmodium falciparum carbonic anhydrase 0.0182 0.195 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0231 0.2506 0.5817
Brugia malayi RNA binding protein 0.004 0.0346 0.0809
Echinococcus granulosus GTP binding nuclear protein Ran 0.0014 0.0041 0.0041
Echinococcus granulosus sodium bile acid cotransporter 0.0247 0.2693 0.2693
Brugia malayi photoreceptor-specific nuclear receptor 0.0019 0.0101 0.0235
Loa Loa (eye worm) hypothetical protein 0.0019 0.0101 0.0109
Schistosoma mansoni ran 0.0014 0.0041 0.0041
Onchocerca volvulus 0.0023 0.0145 0.0169
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0014 0.0041 0.0041
Echinococcus multilocularis inositol monophosphatase 1 0.0022 0.0138 0.0138
Echinococcus multilocularis carbonic anhydrase 0.0182 0.195 0.195
Trichomonas vaginalis set domain proteins, putative 0.0155 0.1643 1
Mycobacterium ulcerans hypothetical protein 0.0122 0.1267 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0023 0.0145 0.0145
Brugia malayi RNA recognition motif domain containing protein 0.004 0.0346 0.0809
Echinococcus granulosus carbonic anhydrase 0.0182 0.195 0.195
Mycobacterium ulcerans hypothetical protein 0.0023 0.0145 0.0055
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0293 0.0293
Echinococcus multilocularis beta LACTamase domain containing family member 0.0023 0.0145 0.0145
Echinococcus granulosus transcription factor btf3 0.0021 0.0125 0.0125
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0019 0.0101 0.0101
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0387 0.4279 1
Schistosoma mansoni hypothetical protein 0.0039 0.0332 0.0332
Echinococcus granulosus zinc finger protein 0.0012 0.002 0.002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0019 0.0101 0.0109
Onchocerca volvulus 0.0023 0.0145 0.0169
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0145 0.0244
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0182 0.195 0.4558
Brugia malayi Latrophilin receptor protein 2 0.0039 0.0332 0.0775
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0101 0.0101
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0022 0.0132 0.0132
Schistosoma mansoni inositol monophosphatase 0.0022 0.0138 0.0138
Onchocerca volvulus 0.0155 0.1643 0.5952
Trichomonas vaginalis penicillin-binding protein, putative 0.0023 0.0145 0.0646
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0101 0.0235
Loa Loa (eye worm) hypothetical protein 0.0182 0.195 0.2104
Schistosoma mansoni tar DNA-binding protein 0.004 0.0346 0.0346
Schistosoma mansoni hypothetical protein 0.0039 0.0332 0.0332
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0145 0.1531 1
Echinococcus multilocularis neuropeptide s receptor 0.0278 0.3046 0.3046
Loa Loa (eye worm) hypothetical protein 0.0039 0.0332 0.0358
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0023 0.0145 0.0055
Schistosoma mansoni sodium-bile acid cotransporter related 0.0247 0.2693 0.2693
Loa Loa (eye worm) hypothetical protein 0.0019 0.0101 0.0109
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0225 0.0225
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0039 0.0332 0.0332
Schistosoma mansoni importin beta-1 0.0018 0.0096 0.0096
Schistosoma mansoni steroid hormone receptor ad4bp 0.0019 0.0101 0.0101
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0101 0.0235
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0145 1
Brugia malayi RNA, U transporter 1 0.0052 0.0481 0.1124
Toxoplasma gondii ABC1 family protein 0.0023 0.0145 0.0542
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0022 0.0138 0.023
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0109 0.1127 0.2562
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0145 0.0646
Plasmodium vivax SET domain protein, putative 0.002 0.0109 0.6533
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0101 0.0235
Loa Loa (eye worm) hypothetical protein 0.0182 0.195 0.2104
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0101 0.0101
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0023 0.0145 0.0145
Echinococcus granulosus beta LACTamase domain containing family member 0.0023 0.0145 0.0145
Echinococcus granulosus GPCR family 2 0.0039 0.0332 0.0332
Echinococcus multilocularis carbonic anhydrase 0.0182 0.195 0.195
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0032 0.0256 0.0506
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0072 0.0708 0.0708
Brugia malayi Bromodomain containing protein 0.0023 0.0148 0.0345
Brugia malayi beta-lactamase 0.0023 0.0145 0.0338
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0019 0.0101 0.0101
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0182 0.195 0.4558
Trypanosoma cruzi transcription factor btf3, putative 0.0021 0.0125 0.0198
Loa Loa (eye worm) hypothetical protein 0.0023 0.0145 0.0156
Loa Loa (eye worm) hypothetical protein 0.0096 0.0981 0.1059
Trichomonas vaginalis importin beta-1, putative 0.0015 0.0057 0.0098
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0231 0.2506 0.5817
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0225 0.0225
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0293 0.0293
Schistosoma mansoni aldehyde dehydrogenase 0.0072 0.0708 0.0708
Onchocerca volvulus 0.002 0.0109 0.0031
Schistosoma mansoni coup transcription factor 0.0019 0.0101 0.0101
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0019 0.0101 0.0101
Echinococcus granulosus ecdysone induced protein 78C 0.0019 0.0101 0.0101
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0019 0.0101 0.0101
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0019 0.0101 0.0235
Loa Loa (eye worm) hypothetical protein 0.0023 0.0148 0.016
Trichomonas vaginalis penicillin-binding protein, putative 0.0023 0.0145 0.0646
Schistosoma mansoni sodium-bile acid cotransporter related 0.01 0.1025 0.1025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0019 0.0101 0.0109
Loa Loa (eye worm) transcription factor SMAD2 0.0076 0.0752 0.0811
Brugia malayi Importin beta-1 subunit 0.0018 0.0096 0.0225
Loa Loa (eye worm) latrophilin receptor protein 2 0.0039 0.0332 0.0358
Brugia malayi MH2 domain containing protein 0.0076 0.0752 0.1757
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0072 0.0708 0.4202
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0225 0.0225
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0182 0.195 0.4558
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0019 0.0101 0.0101
Echinococcus granulosus carbonic anhydrase 0.0182 0.195 0.195
Echinococcus multilocularis methyl CpG binding domain protein 2 0.001 0.0003 0.0003
Trypanosoma brucei importin beta-1 subunit, putative 0.0018 0.0096 0.013
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0101 0.0235
Brugia malayi ecdysteroid receptor 0.0019 0.0101 0.0235
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0039 0.0332 0.0332
Leishmania major importin beta-1 subunit, putative 0.0015 0.0057 0.0037
Echinococcus multilocularis tumor protein p63 0.02 0.2158 0.2158
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0019 0.0101 0.0235
Echinococcus multilocularis FTZ F1 alpha 0.0019 0.0101 0.0101
Echinococcus granulosus neuropeptide s receptor 0.0278 0.3046 0.3046
Plasmodium falciparum importin beta, putative 0.0018 0.0096 0.0289
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0109 0.1127 0.2562
Toxoplasma gondii hypothetical protein 0.0182 0.195 1
Trypanosoma brucei transcription factor BTF3, putative 0.0021 0.0125 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0125 0.0524
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0125 0.0524
Schistosoma mansoni cellular tumor antigen P53 0.0029 0.022 0.022
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0124 0.1292 0.1394
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.004 0.0336 0.0696
Toxoplasma gondii NAC domain-containing protein 0.0021 0.0125 0.044
Schistosoma mansoni carbonic anhydrase-related 0.0182 0.195 0.195
Mycobacterium tuberculosis Conserved protein 0.0023 0.0145 0.0229
Loa Loa (eye worm) hypothetical protein 0.0827 0.927 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0387 0.4279 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0019 0.0101 0.0235
Schistosoma mansoni hypothetical protein 0.0012 0.0028 0.0028
Echinococcus granulosus carbonic anhydrase 0.0182 0.195 0.195
Echinococcus multilocularis snurportin 1 0.0196 0.2116 0.2116
Toxoplasma gondii hypothetical protein 0.0037 0.031 0.1408
Mycobacterium ulcerans beta-lactamase 0.0023 0.0145 0.0055
Brugia malayi Calcitonin receptor-like protein seb-1 0.0124 0.1292 0.3019
Echinococcus multilocularis transcription factor btf3 0.0021 0.0125 0.0125
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 0.0708 0.5049
Mycobacterium ulcerans lipase LipD 0.0023 0.0145 0.0055
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0145 0.0244
Onchocerca volvulus 0.0023 0.0145 0.0169
Loa Loa (eye worm) hypothetical protein 0.0026 0.0177 0.0191
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0019 0.0101 0.0101
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0023 0.0145 0.0229
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0032 0.0256 0.0506
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0019 0.0101 0.0101
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0101 0.0101
Mycobacterium tuberculosis Probable esterase LipL 0.0023 0.0145 0.0229
Echinococcus granulosus inositol monophosphatase 1 0.0022 0.0138 0.0138
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0023 0.0145 0.0156
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0014 0.0041 0.0041
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0145 0.0646
Echinococcus multilocularis thyroid hormone receptor alpha 0.0019 0.0101 0.0101
Echinococcus granulosus snurportin 1 0.0196 0.2116 0.2116
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0019 0.0101 0.0235
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 0.0708 0.5049
Brugia malayi steroid hormone receptor 0.0019 0.0101 0.0235
Echinococcus multilocularis carbonic anhydrase 0.0182 0.195 0.195
Echinococcus multilocularis ecdysone induced protein 78C 0.0019 0.0101 0.0101
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0019 0.0101 0.0101
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0023 0.0145 0.0229
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0022 0.0138 0.023
Brugia malayi Pre-SET motif family protein 0.002 0.0109 0.0254
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0101 0.0101
Schistosoma mansoni tar DNA-binding protein 0.004 0.0346 0.0346
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0101 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0101 0.0235
Loa Loa (eye worm) carbonic anhydrase 3 0.0387 0.4279 0.4616
Brugia malayi beta-lactamase family protein 0.0023 0.0145 0.0338
Echinococcus multilocularis GPCR, family 2 0.0039 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0024 0.0164 0.0177
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0039 0.0332 0.0332
Schistosoma mansoni hypothetical protein 0.0039 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0023 0.0145 0.0156
Loa Loa (eye worm) bromodomain containing protein 0.0011 0.0007 0.0008
Loa Loa (eye worm) hypothetical protein 0.0019 0.0101 0.0109
Schistosoma mansoni hypothetical protein 0.0108 0.1114 0.1114
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0019 0.0101 0.0101
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0019 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0019 0.0101 0.0109
Mycobacterium tuberculosis Probable hydrolase 0.0023 0.0145 0.0229
Echinococcus granulosus tumor protein p63 0.02 0.2158 0.2158
Brugia malayi Steroid receptor seven-up type 2 0.0019 0.0101 0.0235
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0124 0.1292 0.3019
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0019 0.0101 0.0101
Echinococcus multilocularis microtubule associated protein 2 0.0891 1 1
Schistosoma mansoni hypothetical protein 0.0108 0.1114 0.1114
Brugia malayi nuclear receptor NHR-88 0.0019 0.0101 0.0235
Brugia malayi PHD-finger family protein 0.0015 0.0057 0.0132
Mycobacterium tuberculosis Probable lipase LipE 0.0023 0.0145 0.0229
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0072 0.0708 0.1574
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0109 0.0109
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0022 0.0138 0.023
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0182 0.195 0.4558
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0019 0.0101 0.0109

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 320 nM In vitro inhibitory activity against uptake of [14C]-taurocholate in baby hamster kidney cells transfected with cDNA from human Apical Sodium-Codependent Bile Acid Transporter ChEMBL. 14552767
IC50 (binding) = 320 nM In vitro inhibitory activity against uptake of [14C]-taurocholate in baby hamster kidney cells transfected with cDNA from human Apical Sodium-Codependent Bile Acid Transporter ChEMBL. 14552767

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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