Detailed information for compound 1031264

Basic information

Technical information
  • TDR Targets ID: 1031264
  • Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinoli n-7-yl)sulfonylamino]-1-pyridin-4-ylpiperidin e-4-carboxylic acid dihydrochloride
  • MW: 531.456 | Formula: C21H28Cl2N6O4S
  • H donors: 3 H acceptors: 5 LogP: 2.02 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: NC(=N)N1CCc2c(C1)cc(cc2)S(=O)(=O)NC1(CCN(CC1)c1ccncc1)C(=O)O.Cl.Cl
  • InChi: 1S/C21H26N6O4S.2ClH/c22-20(23)27-10-5-15-1-2-18(13-16(15)14-27)32(30,31)25-21(19(28)29)6-11-26(12-7-21)17-3-8-24-9-4-17;;/h1-4,8-9,13,25H,5-7,10-12,14H2,(H3,22,23)(H,28,29);2*1H
  • InChiKey: KLWCZGUZFUPARW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-(4-pyridyl)piperidine-4-carboxylic acid dihydrochloride
  • 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-(4-pyridyl)-4-piperidinecarboxylic acid dihydrochloride
  • 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-(4-pyridyl)isonipecotic acid dihydrochloride
  • 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-yl-piperidine-4-carboxylic acid dihydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor X Starlite/ChEMBL References
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Entamoeba histolytica hypothetical protein 0.0073 0.032 0.0371
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0032 0.0068 0.0075
Echinococcus granulosus carbonic anhydrase 0.0438 0.2558 0.4285
Echinococcus granulosus GPCR family 2 0.0032 0.0068 0.0114
Loa Loa (eye worm) hypothetical protein 0.0438 0.2558 0.4285
Mycobacterium ulcerans integral membrane transporter 0.0032 0.0068 0.0075
Loa Loa (eye worm) hypothetical protein 0.0054 0.0199 0.0334
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0182 0.0316
Mycobacterium leprae Probable lipase LipE 0.0041 0.012 0.0139
Loa Loa (eye worm) hypothetical protein 0.0041 0.012 0.0201
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0182 0.0316
Leishmania major cathepsin L-like protease 0.007 0.0303 0.0351
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.012 0.0201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Plasmodium vivax acyl-CoA synthetase, putative 0.0054 0.0199 1
Entamoeba histolytica hypothetical protein 0.0073 0.032 0.0371
Mycobacterium tuberculosis Conserved protein 0.0041 0.012 0.0209
Brugia malayi beta-lactamase 0.0041 0.012 0.0201
Echinococcus multilocularis sentrin specific protease 7 0.0146 0.0766 0.0766
Schistosoma mansoni carbonic anhydrase 0.0438 0.2558 0.2967
Loa Loa (eye worm) hypothetical protein 0.0438 0.2558 0.4285
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.012 0.0209
Leishmania major cathepsin L-like protease 0.007 0.0303 0.0351
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1427 0.8622 1
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0032 0.0068 0.0075
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.032 0.0536
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0233 0.1297 0.2255
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0095 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0199 0.0334
Trichomonas vaginalis conserved hypothetical protein 0.1494 0.9028 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0146 0.0766 0.0888
Onchocerca volvulus 0.0041 0.012 0.1086
Mycobacterium leprae conserved hypothetical protein 0.0041 0.012 0.0139
Mycobacterium tuberculosis Possible penicillin-binding protein 0.026 0.1462 0.2543
Schistosoma mansoni hypothetical protein 0.0083 0.038 0.044
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0297 0.0497
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0032 0.0068 0.0264
Echinococcus granulosus sentrin specific protease 7 0.0146 0.0766 0.1282
Mycobacterium ulcerans carbonic anhydrase 0.1494 0.9028 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.0503 0.0503
Brugia malayi Protein kinase domain containing protein 0.0021 0.0001 0.0002
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.012 0.0201
Plasmodium falciparum carbonic anhydrase 0.0438 0.2558 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0068 0.0114
Echinococcus multilocularis GPCR, family 2 0.0032 0.0068 0.0068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0503 0.0584
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0311 0.052
Plasmodium falciparum acyl-CoA synthetase 0.0054 0.0199 0.078
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0311 0.0344
Trypanosoma cruzi cruzipain precursor, putative 0.007 0.0303 0.0507
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0311 0.0344
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.012 0.0209
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0311 0.036
Brugia malayi Kringle domain containing protein 0.0021 0.0001 0.0002
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.0001 0.0067
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0995 0.5971 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0095 0.0158
Brugia malayi beta-lactamase family protein 0.0041 0.012 0.0201
Loa Loa (eye worm) hypothetical protein 0.0054 0.0199 0.0334
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0068 0.0114
Schistosoma mansoni hypothetical protein 0.0051 0.0181 0.021
Loa Loa (eye worm) hypothetical protein 0.0069 0.0297 0.0497
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.0001 0.0002
Toxoplasma gondii ABC1 family protein 0.0041 0.012 0.0469
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0095 0.0158
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0068 0.0068
Echinococcus multilocularis carbonic anhydrase 0.0438 0.2558 0.2558
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.0503 0.0503
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.012 0.0201
Brugia malayi beta-lactamase family protein 0.0041 0.012 0.0201
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.012 0.012
Schistosoma mansoni hypothetical protein 0.0073 0.032 0.0371
Entamoeba histolytica acyl-CoA synthetase, putative 0.0072 0.0311 0.036
Schistosoma mansoni hypothetical protein 0.0032 0.0068 0.0079
Schistosoma mansoni hypothetical protein 0.0021 0.0001 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Schistosoma mansoni carbonic anhydrase-related 0.0438 0.2558 0.2967
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0995 0.5971 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0311 0.036
Echinococcus granulosus expressed conserved protein 0.0188 0.1026 0.1719
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0072 0.0311 0.0344
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.012 0.0133
Brugia malayi Niemann-Pick C1 protein precursor 0.0201 0.1101 0.1844
Loa Loa (eye worm) hypothetical protein 0.0072 0.0311 0.052
Loa Loa (eye worm) hypothetical protein 0.0041 0.012 0.0201
Onchocerca volvulus Putative sulfate transporter 0.0201 0.1105 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0068 0.0113
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.012 0.0133
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0181 0.0303
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0054 0.0199 1
Echinococcus multilocularis carbonic anhydrase 0.0438 0.2558 0.2558
Entamoeba histolytica acyl-coA synthetase, putative 0.0072 0.0311 0.036
Mycobacterium ulcerans hypothetical protein 0.0072 0.0311 0.0344
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0103 0.0503 0.0843
Echinococcus granulosus carbonic anhydrase 0.0438 0.2558 0.4285
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0095 0.0158
Loa Loa (eye worm) beta-lactamase 0.0041 0.012 0.0201
Schistosoma mansoni hypothetical protein 0.0032 0.0068 0.0079
Echinococcus granulosus carbonic anhydrase 0.0438 0.2558 0.4285
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0068 0.0068
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0995 0.5971 0.6925
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0068 0.0113
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.0001 0.0001
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0072 0.0311 0.054
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.1392 0.1392
Mycobacterium leprae Probable transmembrane transport protein 0.0233 0.1297 0.1504
Mycobacterium ulcerans acyl-CoA synthetase 0.0072 0.0311 0.0344
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0086 0.0399 0.0668
Schistosoma mansoni hypothetical protein 0.0083 0.038 0.044
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Brugia malayi CHE-14 protein 0.0086 0.0399 0.0668
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.0494 0.0827
Onchocerca volvulus 0.0041 0.012 0.1086
Schistosoma mansoni survival motor neuron protein 0.0051 0.0181 0.021
Leishmania major hypothetical protein, conserved 0.0021 0.0001 0.0002
Schistosoma mansoni hypothetical protein 0.0032 0.0068 0.0079
Echinococcus multilocularis protein patched 0.0086 0.0399 0.0399
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0071 0.0124
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0068 0.0114
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Loa Loa (eye worm) hypothetical protein 0.0102 0.0494 0.0827
Schistosoma mansoni hypothetical protein 0.0069 0.0297 0.0344
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0438 0.2558 0.4285
Echinococcus granulosus Niemann Pick C1 protein 0.0201 0.1101 0.1844
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0095 0.0158
Brugia malayi hypothetical protein 0.0248 0.1392 0.2332
Leishmania major cathepsin L-like protease 0.007 0.0303 0.0351
Schistosoma mansoni hypothetical protein 0.0083 0.038 0.044
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.012 0.0209
Loa Loa (eye worm) hypothetical protein 0.0041 0.012 0.0201
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0311 0.036
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0438 0.2558 0.4285
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0071 0.0083
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.0494 0.0827
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0054 0.0199 0.0347
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0893 0.5345 0.9295
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0095 0.011
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0438 0.2558 0.4285
Loa Loa (eye worm) hypothetical protein 0.0201 0.1101 0.1844
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0503 0.0584
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0995 0.5971 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0068 0.0114
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.012 0.0201
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.012 0.0133
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0303 0.0507
Schistosoma mansoni hypothetical protein 0.0438 0.2558 0.2967
Mycobacterium ulcerans carbonic anhydrase 0.1427 0.8622 0.9551
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.0001 0.0002
Onchocerca volvulus 0.0051 0.0181 0.1639
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.032 0.032
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0399 0.0442
Echinococcus multilocularis protein dispatched 1 0.0098 0.0473 0.0473
Trichomonas vaginalis conserved hypothetical protein 0.1494 0.9028 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.0503 0.0843
Loa Loa (eye worm) hypothetical protein 0.0105 0.0517 0.0867
Brugia malayi STAT protein, DNA binding domain containing protein 0.0156 0.0827 0.1385
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0032 0.0068 0.0113
Leishmania major carbonic anhydrase family protein, putative 0.1427 0.8622 1
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0303 0.0507
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0072 0.0311 0.054
Trypanosoma brucei carbonic anhydrase-like protein 0.0995 0.5971 1
Mycobacterium ulcerans lipase LipD 0.0041 0.012 0.0133
Onchocerca volvulus 0.0072 0.0311 0.2811
Loa Loa (eye worm) hypothetical protein 0.0086 0.0399 0.0668
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0032 0.0068 0.0264
Loa Loa (eye worm) hypothetical protein 0.0054 0.0199 0.0334
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.032 0.0371
Entamoeba histolytica carbonic anhydrase, putative 0.1427 0.8622 1
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.012 0.0209
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Leishmania major hypothetical protein, conserved 0.0041 0.012 0.0139
Plasmodium vivax sulfate transporter, putative 0.0032 0.0068 0.3385
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0095 0.0105
Echinococcus multilocularis expressed conserved protein 0.0133 0.0688 0.0688
Mycobacterium ulcerans beta-lactamase 0.0041 0.012 0.0133
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0311 0.052
Loa Loa (eye worm) hypothetical protein 0.0248 0.1392 0.2332
Trichomonas vaginalis esterase, putative 0.0041 0.012 0.0133
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0064 0.0265 0.0444
Echinococcus granulosus Niemann Pick C1 protein 0.0287 0.1628 0.2727
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0201 0.1101 0.1277
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0438 0.2558 0.4285
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0068 0.0114
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.0001 0.0005
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0311 0.052
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.012 0.0209
Echinococcus multilocularis Niemann Pick C1 protein 0.0287 0.1628 0.1628
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0438 0.2558 0.4285
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0068 0.0114
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.0494 0.0827
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.012 0.0133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.0503 0.0584
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0095 0.0095
Trypanosoma cruzi major cysteine proteinase, putative 0.0055 0.021 0.0352
Loa Loa (eye worm) hypothetical protein 0.0021 0.0001 0.0002
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0438 0.2558 0.4285
Schistosoma mansoni hypothetical protein 0.0083 0.038 0.044
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.1392 0.2332
Echinococcus multilocularis Niemann Pick C1 protein 0.0201 0.1101 0.1101
Echinococcus multilocularis carbonic anhydrase II 0.0995 0.5971 0.5971
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0182 0.0316
Entamoeba histolytica hypothetical protein 0.0073 0.032 0.0371
Onchocerca volvulus 0.0041 0.012 0.1086
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0995 0.5971 1
Toxoplasma gondii hypothetical protein 0.0438 0.2558 1
Loa Loa (eye worm) inositol-1 0.0036 0.0095 0.0158
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0072 0.0311 0.036
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0072 0.0311 0.0344
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0959 0.5751 1
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0001 0.0002
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.012 0.0139
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0072 0.0311 0.0344
Loa Loa (eye worm) STAT protein 0.0156 0.0827 0.1385
Loa Loa (eye worm) hypothetical protein 0.0438 0.2558 0.4285
Schistosoma mansoni patched 1 0.0086 0.0399 0.0462
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.0503 0.0843
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0995 0.5971 0.6925
Schistosoma mansoni inositol monophosphatase 0.0036 0.0095 0.011
Toxoplasma gondii kringle domain-containing protein 0.0021 0.0001 0.0005
Loa Loa (eye worm) hypothetical protein 0.0041 0.012 0.0201
Schistosoma mansoni carbonic anhydrase 0.1427 0.8622 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0204 0.112 0.1299
Echinococcus granulosus carbonic anhydrase II 0.0995 0.5971 1
Onchocerca volvulus 0.0201 0.1105 1
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.012 0.0209
Mycobacterium ulcerans hypothetical protein 0.0041 0.012 0.0133
Loa Loa (eye worm) hypothetical protein 0.0054 0.0199 0.0334
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0095 0.0105
Echinococcus multilocularis carbonic anhydrase 0.0438 0.2558 0.2558
Loa Loa (eye worm) hypothetical protein 0.0041 0.012 0.0201
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0095 0.037
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0146 0.0766 0.0888
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0095 0.0105
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.0199 0.0221
Mycobacterium tuberculosis Conserved protein 0.0041 0.012 0.0209
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0103 0.0503 0.0843
Schistosoma mansoni carbonic anhydrase-related 0.0438 0.2558 0.2967
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0095 0.0105
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0095 0.011
Schistosoma mansoni inositol monophosphatase 0.0036 0.0095 0.011
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.012 0.0133
Echinococcus multilocularis expressed conserved protein 0.0188 0.1026 0.1026
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.012 0.0201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.0303 0.0507
Brugia malayi Inositol-1 0.0036 0.0095 0.0158
Loa Loa (eye worm) hypothetical protein 0.0072 0.0311 0.052
Schistosoma mansoni hypothetical protein 0.0032 0.0068 0.0079
Leishmania major carbonic anhydrase-like protein 0.0995 0.5971 0.6925
Onchocerca volvulus 0.0021 0.0001 0.0012
Schistosoma mansoni carbonic anhydrase-related 0.0438 0.2558 0.2967
Echinococcus granulosus expressed conserved protein 0.0133 0.0688 0.1151
Echinococcus granulosus Protein patched homolog 1 0.0086 0.0399 0.0668
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0767 0.4574 0.7954
Entamoeba histolytica hypothetical protein 0.0073 0.032 0.0371
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0995 0.5971 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.012 0.0201
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.012 0.0139
Brugia malayi hypothetical protein 0.0073 0.032 0.0536
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.0303 0.0507
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0072 0.0311 0.0344
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0311 0.036
Echinococcus granulosus sterol regulatory element binding protein 0.0086 0.0399 0.0668
Loa Loa (eye worm) carbonic anhydrase 3 0.0995 0.5971 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0072 0.0311 0.036
Mycobacterium tuberculosis Conserved protein 0.0041 0.012 0.0209
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.012 0.0209
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0051 0.0182 0.0316
Plasmodium vivax hypothetical protein, conserved 0.0041 0.012 0.6015
Echinococcus multilocularis sterol regulatory element binding protein 0.0086 0.0399 0.0399
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.012 0.0133
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.012 0.0133
Loa Loa (eye worm) hypothetical protein 0.0072 0.0311 0.052
Loa Loa (eye worm) hypothetical protein 0.0041 0.012 0.0201

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.9 uM Inhibitory concentration against human Coagulation factor X ChEMBL. 15887966
IC50 (binding) > 10 uM Inhibitory concentration against human Coagulation factor II (thrombin) ChEMBL. 15887966

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.