Detailed information for compound 1946788

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 574.729 | Formula: C30H42N2O7S
  • H donors: 4 H acceptors: 6 LogP: -0.69 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCC1(CCCC)NC(c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)OC)CNC(CC(=O)O)CC(=O)O
  • InChi: 1S/C30H42N2O7S/c1-4-6-13-30(14-7-5-2)20-40(37,38)26-15-22(19-31-23(16-27(33)34)17-28(35)36)25(39-3)18-24(26)29(32-30)21-11-9-8-10-12-21/h8-12,15,18,23,29,31-32H,4-7,13-14,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)
  • InChiKey: NWQMRLFYJYLMGL-UHFFFAOYSA-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 No 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
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
Loa Loa (eye worm) hypothetical protein 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 multilocularis sodium bile acid cotransporter 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
Schistosoma japonicum IPR002657,Bile acid:sodium symporter,domain-containing 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
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
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
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0064 0.0202
Echinococcus granulosus neuropeptide receptor A26 0.0467 0.178 0.6129
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0064 0.0064
Brugia malayi hypothetical protein 0.0103 0.0294 0.0294
Onchocerca volvulus 0.0357 0.1331 0.1468
Toxoplasma gondii leucyl aminopeptidase LAP 0.0115 0.0343 0.2692
Brugia malayi hypothetical protein 0.0152 0.0494 0.0494
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.0357 0.1331 0.1326
Schistosoma mansoni hypothetical protein 0.0037 0.0026 0.0072
Echinococcus granulosus neuropeptide s receptor 0.0467 0.178 0.6129
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0027 0.0076
Leishmania major cathepsin L-like protease 0.0064 0.0138 0.0897
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0136 0.0131
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0026 0.0179
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0064 0.0202
Schistosoma mansoni hypothetical protein 0.0174 0.0586 0.2006
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0064 0.0202
Onchocerca volvulus 0.0037 0.0026 0.0007
Loa Loa (eye worm) TK/EPH protein kinase 0.0081 0.0208 0.0202
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0064 0.0202
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0036 0.0021 0.0053
Entamoeba histolytica aminopeptidase, putative 0.0057 0.011 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.035 0.0345
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0082 0.0468
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0057 0.011 0.036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0064 0.0202
Loa Loa (eye worm) hypothetical protein 0.005 0.0077 0.0072
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0068 0.0152 0.1007
Echinococcus multilocularis sodium bile acid cotransporter 0.0742 0.2901 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0116 0.035 0.0345
Echinococcus multilocularis integrin alpha ps 0.0067 0.0146 0.0488
Loa Loa (eye worm) hypothetical protein 0.0082 0.0209 0.0204
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Loa Loa (eye worm) hypothetical protein 0.0112 0.0333 0.0328
Brugia malayi hypothetical protein 0.0036 0.0021 0.0021
Onchocerca volvulus 0.0742 0.2901 0.3228
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0602 0.6042
Echinococcus granulosus sodium bile acid cotransporter 0.0742 0.2901 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0026 0.0179
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0021
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0026 0.0179
Echinococcus granulosus sodium bile acid cotransporter 0.0742 0.2901 1
Onchocerca volvulus Cell death protein 3 homolog 0.0152 0.0494 0.0531
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Loa Loa (eye worm) inositol-1 0.0037 0.0027 0.0022
Onchocerca volvulus 0.0138 0.0439 0.0469
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0164 0.0543 0.3986
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.0982 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0057 0.011 0.036
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0138 0.0897
Trypanosoma cruzi phospholipase A1, putative 0.0357 0.1331 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0026 0.0181
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Schistosoma mansoni integrin alpha-ps 0.0067 0.0146 0.0488
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0026 0.0026
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0027 0.0076
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0027 0.0053
Onchocerca volvulus 0.0357 0.1331 0.1468
Schistosoma mansoni cathepsin D (A01 family) 0.0146 0.0471 0.1607
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0021
Plasmodium falciparum plasmepsin VI 0.005 0.0077 0.048
Trypanosoma brucei Aminopeptidase M1, putative 0.0057 0.011 0.068
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0026 0.0179
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0164 0.0543 0.3986
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0027 0.0215
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0057 0.011 0.0927
Schistosoma mansoni sodium-bile acid cotransporter related 0.0301 0.1102 0.3788
Mycobacterium leprae Probable lipase LipE 0.0037 0.0026 0.0448
Trypanosoma cruzi Aminopeptidase M1, putative 0.0057 0.011 0.068
Plasmodium vivax plasmepsin IV, putative 0.005 0.0077 0.048
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0057 0.011 0.036
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0602 0.6042
Echinococcus multilocularis aminopeptidase N 0.0138 0.0439 0.1498
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0027 0.0144
Trichomonas vaginalis set domain proteins, putative 0.024 0.0854 0.867
Echinococcus granulosus tumor protein p63 0.0341 0.1267 0.4357
Toxoplasma gondii aspartyl protease ASP1 0.005 0.0077 0.0433
Schistosoma mansoni aminopeptidase A (M01 family) 0.0036 0.0021 0.0053
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0068 0.0152 0.1007
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0021
Brugia malayi hypothetical protein 0.0037 0.0026 0.0026
Trypanosoma cruzi phospholipase A1, putative 0.0357 0.1331 1
Schistosoma mansoni hypothetical protein 0.0174 0.0586 0.2006
Onchocerca volvulus 0.024 0.0854 0.0935
Loa Loa (eye worm) hypothetical protein 0.0063 0.0134 0.0129
Loa Loa (eye worm) hypothetical protein 0.005 0.0079 0.0074
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.0736 0.0731
Plasmodium falciparum M17 leucyl aminopeptidase 0.0068 0.0152 0.1117
Loa Loa (eye worm) aspartic protease BmAsp-2 0.005 0.0077 0.0072
Schistosoma mansoni caspase-7 (C14 family) 0.0152 0.0494 0.1687
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0027 0.0072
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0026 0.0045
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.005 0.0077 0.0248
Loa Loa (eye worm) RNA binding protein 0.0064 0.0136 0.0131
Plasmodium falciparum plasmepsin II 0.005 0.0077 0.048
Echinococcus multilocularis sodium bile acid cotransporter 0.0742 0.2901 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0026 0.0073
Brugia malayi Sodium Bile acid symporter family protein 0.0742 0.2901 0.2901
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein 0.0357 0.1331 0.1331
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.005 0.0077 0.0248
Echinococcus granulosus integrin alpha 3 0.0114 0.0339 0.1153
Loa Loa (eye worm) aminopeptidase N 0.0057 0.011 0.0104
Schistosoma mansoni sodium-bile acid cotransporter 0.0441 0.1674 0.5763
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0602 0.6042
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.0641 0.6449
Echinococcus multilocularis leucine aminopeptidase protein 0.0115 0.0343 0.1166
Trypanosoma brucei phospholipase A1, putative 0.0357 0.1331 1
Brugia malayi beta-lactamase family protein 0.0037 0.0026 0.0026
Onchocerca volvulus 0.0063 0.0134 0.0127
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0026 0.0073
Onchocerca volvulus 0.0057 0.011 0.01
Brugia malayi Integrin alpha pat-2 precursor 0.0148 0.048 0.048
Brugia malayi TATA binding protein associated factor 0.0036 0.0021 0.0021
Onchocerca volvulus Phospholipase A2 homolog 0.1309 0.5212 0.5818
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0325 0.1202 1
Brugia malayi TAR-binding protein 0.0064 0.0136 0.0136
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0064 0.0058
Schistosoma mansoni inositol monophosphatase 0.0037 0.0027 0.0076
Brugia malayi Inositol-1 0.0037 0.0027 0.0027
Brugia malayi beta-lactamase family protein 0.0037 0.0026 0.0026
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0602 0.6042
Echinococcus multilocularis tumor protein p63 0.0341 0.1267 0.4357
Schistosoma mansoni sodium-bile acid cotransporter related 0.0742 0.2901 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0152 0.0494 0.1687
Leishmania major phospholipase A1, putative 0.0357 0.1331 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0026 0.0072
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0057 0.011 0.036
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0138 0.0439 0.0434
Mycobacterium ulcerans hypothetical protein 0.0037 0.0026 0.0181
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0271 0.0982 0.0982
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.0011
Echinococcus multilocularis integrin alpha 3 0.0114 0.0339 0.1153
Trypanosoma cruzi aminopeptidase, putative 0.0057 0.011 0.068
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0027 0.0053
Echinococcus granulosus leukotriene A 4 hydrolase 0.0138 0.0439 0.1497
Loa Loa (eye worm) hypothetical protein 0.0081 0.0205 0.02
Plasmodium vivax aspartyl proteinase, putative 0.005 0.0077 0.048
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0138 0.0897
Loa Loa (eye worm) hypothetical protein 0.0742 0.2901 0.2897
Leishmania major cathepsin L-like protease 0.0064 0.0138 0.0897
Echinococcus multilocularis sodium bile acid cotransporter 0.0742 0.2901 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0026 0.0061
Echinococcus multilocularis geminin 0.0174 0.0586 0.2006
Onchocerca volvulus 0.0152 0.0494 0.0531
Loa Loa (eye worm) hypothetical protein 0.0152 0.0494 0.0489
Onchocerca volvulus Phospholipase A2 homolog 0.2224 0.8943 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0138 0.0439 0.1497
Brugia malayi Peptidase family M1 containing protein 0.0138 0.0439 0.0439
Loa Loa (eye worm) hypothetical protein 0.0103 0.0294 0.0289
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0036 0.0021 0.0053
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0136 0.0452
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0057 0.011 0.068
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0021
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0057 0.011 0.068
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0079 0.0255
Schistosoma mansoni cathepsin D (A01 family) 0.0146 0.0471 0.1607
Schistosoma mansoni hypothetical protein 0.012 0.0364 0.124
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0136 0.0131
Chlamydia trachomatis cytosol aminopeptidase 0.0115 0.0343 0.5
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0138 0.0439 0.1497
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0136 0.0452
Onchocerca volvulus Glucosylceramidase homolog 0.0178 0.0602 0.0651
Loa Loa (eye worm) integrin alpha pat-2 0.0229 0.0808 0.0803
Schistosoma mansoni inositol monophosphatase 0.0037 0.0027 0.0076
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0021
Echinococcus multilocularis neuropeptide receptor A26 0.0467 0.178 0.6129
Toxoplasma gondii aminopeptidase n, putative 0.0325 0.1202 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0027 0.0053
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0026 0.0061
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0027 0.0009
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0026 0.0179
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.0982 1
Echinococcus granulosus apoptotic protease activating factor 1 0.0152 0.0494 0.1687
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.005 0.0077 0.0433
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Plasmodium falciparum plasmepsin IV 0.005 0.0077 0.048
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0115 0.0343 0.2729
Brugia malayi Pre-SET motif family protein 0.0211 0.0736 0.0736
Trichomonas vaginalis esterase, putative 0.0037 0.0026 0.0061
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0602 0.6042
Schistosoma mansoni integrin alpha-ps 0.0035 0.0017 0.0039
Toxoplasma gondii aminopeptidase N protein 0.0325 0.1202 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0136 0.0452
Echinococcus granulosus aminopeptidase N 0.0138 0.0439 0.1498
Leishmania major cathepsin L-like protease 0.0064 0.0138 0.0897
Echinococcus multilocularis ephrin type A receptor 4 A 0.0064 0.0137 0.0454
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0026 0.0045
Brugia malayi beta-lactamase 0.0037 0.0026 0.0026
Mycobacterium ulcerans leucyl aminopeptidase 0.0115 0.0343 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0027 0.0053
Loa Loa (eye worm) hypothetical protein 0.0032 0.0007 0.0002
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0026 0.0072
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0138 0.0897
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0026 0.0021
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0026 0.0045
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0136 0.0452
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0115 0.0343 0.3998
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0057 0.011 0.068
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0057 0.011 0.036
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0026 0.0179
Brugia malayi Cell death protein 3 precursor 0.0152 0.0494 0.0494
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.0982 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0026 0.0179
Leishmania major hypothetical protein, conserved 0.0037 0.0026 0.0045
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.005 0.0077 0.0248
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0026 0.0181
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0136 0.0136
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0057 0.011 0.036
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.0015
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0138 0.0897
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0271 0.0982 0.0977
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0057 0.011 0.036
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0057 0.011 0.036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0064 0.0202
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0136 0.0452
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0026 0.0061
Onchocerca volvulus 0.0037 0.0026 0.0007
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0602 0.6042
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0068 0.0152 0.1007
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0602 0.6042
Onchocerca volvulus 0.005 0.0079 0.0066
Echinococcus multilocularis neuropeptide s receptor 0.0467 0.178 0.6129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Echinococcus granulosus geminin 0.0174 0.0586 0.2006
Echinococcus granulosus integrin alpha ps 0.0067 0.0146 0.0488
Loa Loa (eye worm) TATA binding protein associated factor 0.0036 0.0021 0.0015
Onchocerca volvulus 0.0357 0.1331 0.1468
Echinococcus multilocularis caspase 2 0.0152 0.0494 0.1687
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0026 0.0072
Loa Loa (eye worm) beta-lactamase 0.0037 0.0026 0.0021
Toxoplasma gondii aminopeptidase N, putative 0.0325 0.1202 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0057 0.011 0.2765
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.0015
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.0021
Schistosoma mansoni integrin alpha 0.0148 0.048 0.164
Brugia malayi Phospholipase A2 family protein 0.2224 0.8943 0.8943
Schistosoma mansoni hypothetical protein 0.0152 0.0494 0.1687
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0026 0.0061
Echinococcus granulosus leucine aminopeptidase protein 0.0115 0.0343 0.1166
Schistosoma mansoni ephrin receptor 0.0064 0.0137 0.0454
Loa Loa (eye worm) hypothetical protein 0.0036 0.0021 0.0015
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.084 1
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0026 0.0049
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0036 0.0021 0.0053
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0027 0.0072
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0026 0.0179
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0057 0.011 0.036
Mycobacterium tuberculosis Conserved protein 0.0037 0.0026 0.0179
Echinococcus granulosus sodium bile acid cotransporter 0.0742 0.2901 1
Mycobacterium ulcerans beta-lactamase 0.0037 0.0026 0.0181
Mycobacterium ulcerans lipase LipD 0.0037 0.0026 0.0181
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0068 0.0152 0.1007
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0057 0.011 0.036
Echinococcus granulosus tar DNA binding protein 0.0064 0.0136 0.0452
Echinococcus granulosus ephrin type A receptor 4 A 0.0064 0.0137 0.0454
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0115 0.0723
Echinococcus multilocularis integrin alpha ps 0.0067 0.0146 0.0488
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0057 0.011 0.036
Brugia malayi Peptidase family M1 containing protein 0.0036 0.0021 0.0021
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.005 0.0077 0.059
Trypanosoma brucei Aminopeptidase M1, putative 0.0057 0.011 0.068
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0064 0.0202
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0057 0.011 0.068
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0027 0.0072
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0325 0.1202 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0026 0.0061
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.0982 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0026 0.0073
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0115 0.0343 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0026 0.0448
Echinococcus granulosus caspase 2 0.0152 0.0494 0.1687
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0136 0.0452
Loa Loa (eye worm) hypothetical protein 0.2224 0.8943 0.8943
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0057 0.011 0.0927
Mycobacterium tuberculosis Conserved protein 0.0037 0.0026 0.0179
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.0641 0.6449
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0112 0.0333 0.0333
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0026 0.0073
Loa Loa (eye worm) hypothetical protein 0.1309 0.5212 0.5209
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0057 0.011 0.036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0138 0.0897
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.0982 1
Trichomonas vaginalis glucosylceramidase, putative 0.0271 0.0982 1
Onchocerca volvulus 0.0037 0.0026 0.0007
Loa Loa (eye worm) hypothetical protein 0.0152 0.0494 0.0489
Brugia malayi Peptidase family M1 containing protein 0.0057 0.011 0.011
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0115 0.0343 1
Brugia malayi RNA binding protein 0.0064 0.0136 0.0136
Brugia malayi hypothetical protein 0.0057 0.011 0.011
Plasmodium falciparum plasmepsin I 0.005 0.0077 0.048

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6 nM BindingDB_Patents: Inhibition Assay. On the day of the uptake experiment, 10 mM HEPES was added to Hank's Balanced Salt Solution, and the pH was adjusted to 7.4 with TRIS (HBSSH). The assay buffer was prepared by adding 100 uM [3H]-taurocholate and 10 uM cold taurocholate to room temperature HBSSH. A separate washing buffer was prepared by adding 10 uM cold taurocholate to HBSSH (30 ml per assay plate) and placed on ice. Using 100% DMSO, 8 point, 3-fold dilution curves for each test compound was prepared starting at 200 uM. Similarly, an 8 point dose response curve was prepared of the control compound [(3R,5R)-3-butyl-3-ethyl-7,8-bis(methyloxy)-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide (Brieaddy, L. E. WO9605188, 1996)] starting at 1.8 mM. Drug plates were created by adding 3 uL of each concentration to a v-bottom 96-well plate then diluted 60-fold with 177 uL of assay buffer. Plates were removed from the incubator and allowed to cool to ambient temperature. ChEMBL. No reference

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

Bibliographic References

No literature references available for this target.

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