Detailed information for compound 320831

Basic information

Technical information
  • TDR Targets ID: 320831
  • Name: N-[4-(benzimidazol-1-yl)phenyl]-2-(3-carbamim idoylphenyl)-5-pyridin-3-ylpyrazole-3-carboxa mide
  • MW: 498.538 | Formula: C29H22N8O
  • H donors: 2 H acceptors: 4 LogP: 3.79 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1cccc(c1)n1nc(cc1C(=O)Nc1ccc(cc1)n1cnc2c1cccc2)c1cccnc1
  • InChi: 1S/C29H22N8O/c30-28(31)19-5-3-7-23(15-19)37-27(16-25(35-37)20-6-4-14-32-17-20)29(38)34-21-10-12-22(13-11-21)36-18-33-24-8-1-2-9-26(24)36/h1-18H,(H3,30,31)(H,34,38)
  • InChiKey: YPCCPZGSXDLRRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(benzimidazol-1-yl)phenyl]-2-(3-carbamimidoylphenyl)-5-(3-pyridyl)pyrazole-3-carboxamide
  • N-[4-(1-benzimidazolyl)phenyl]-2-(3-carbamimidoylphenyl)-5-(3-pyridyl)-3-pyrazolecarboxamide
  • N-[4-(benzimidazol-1-yl)phenyl]-2-(3-carbamimidoylphenyl)-5-pyridin-3-yl-pyrazole-3-carboxamide
  • 2-(3-amidinophenyl)-N-[4-(benzimidazol-1-yl)phenyl]-5-(3-pyridyl)pyrazole-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor IX Starlite/ChEMBL References
Homo sapiens coagulation factor X 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
Trypanosoma brucei ingi protein (ORF1) 0.0539 0.2656 0.2639
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0072 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0024 0.0098
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0072 1
Brugia malayi protein C24B5.3 0.0013 0.0002 0.0006
Echinococcus granulosus laminin 0.0032 0.0097 0.018
Schistosoma mansoni scy1(yeast) protein kinase-like 0.0045 0.0162 0.0147
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0137 0.0624 0.061
Brugia malayi reverse transcriptase 0.0045 0.0162 0.0667
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.0499 0.2054
Schistosoma mansoni hypothetical protein 0.0045 0.0162 0.0147
Schistosoma mansoni hypothetical protein 0.0045 0.0162 0.0147
Trichomonas vaginalis reverse transcriptases, putative 0.0045 0.0162 0.0637
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0045 0.0162 0.0162
Toxoplasma gondii calcium binding egf domain-containing protein 0.0032 0.0097 0.0393
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0037 0.1862
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Echinococcus granulosus KRAB A domain containing protein 0.0045 0.0162 0.0323
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0032 0.0136
Echinococcus granulosus ribonuclease H1 0.0494 0.2428 0.53
Brugia malayi hypothetical protein 0.0045 0.0162 0.0667
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1819 0.9122 1
Trypanosoma brucei ingi protein (ORF1) 0.0539 0.2656 0.2639
Brugia malayi hypothetical protein 0.0019 0.0029 0.0119
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.013 0.0592 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0194 0.0196
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.059 0.5613
Brugia malayi Patched related family protein 12 0.0013 0.0002 0.0006
Trypanosoma cruzi ribonuclease H1, putative 0.0494 0.2428 1
Schistosoma mansoni cpg binding protein 0.0064 0.0259 0.0245
Brugia malayi Zinc knuckle family protein 0.0045 0.0162 0.0667
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0539 0.2656 0.2639
Brugia malayi hypothetical protein 0.0013 0.0002 0.0006
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0113 0.0215
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0117 0.0526 0.8729
Mycobacterium tuberculosis Probable dehydrogenase 0.0117 0.0526 0.8837
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0113 0.0107
Schistosoma mansoni protein kinase 0.0045 0.0162 0.0147
Trypanosoma brucei SLACS reverse transcriptase, putative 0.0045 0.0162 0.0138
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0045 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0035 0.0113 0.106
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0045 0.0162 0.0162
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0194 0.0706
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0024 0.002
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0081 0.0238
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0024 0.001
Giardia lamblia Reverse transcriptase/endonuclease 0.0045 0.0162 0.0574
Loa Loa (eye worm) hypothetical protein 0.0112 0.0499 0.4745
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.0499 0.2054
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Brugia malayi Niemann-Pick C1 protein precursor 0.0221 0.1049 0.4322
Trichomonas vaginalis reverse transcriptase [C. elegans], putative 0.0045 0.0162 0.0637
Loa Loa (eye worm) histone methyltransferase 0.002 0.0035 0.0315
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0032 0.0136
Echinococcus multilocularis GPCR, family 2 0.0035 0.0113 0.0107
Mycobacterium ulcerans hypothetical protein 0.0027 0.0072 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0113 0.0215
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0113 0.106
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Loa Loa (eye worm) hypothetical protein 0.0032 0.0097 0.091
Brugia malayi reverse transcriptase 0.0045 0.0162 0.0667
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Schistosoma mansoni phosphoglucomutase 0.0494 0.2428 0.2417
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0045 0.0162 0.0323
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0072 0.0201
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Leishmania major trypanothione reductase 0.0051 0.0194 0.0706
Brugia malayi hypothetical protein 0.0045 0.0162 0.0667
Brugia malayi hypothetical protein 0.0013 0.0002 0.0006
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0072 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0072 0.0851
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0045 0.0162 0.0162
Plasmodium falciparum thioredoxin reductase 0.0051 0.0194 1
Brugia malayi MH2 domain containing protein 0.013 0.059 0.2429
Trypanosoma brucei trypanothione reductase 0.0051 0.0194 0.017
Echinococcus granulosus expressed conserved protein 0.0207 0.0982 0.2124
Entamoeba histolytica hypothetical protein 0.0081 0.0342 0.2755
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0282 0.2675
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0045 0.0162 0.0162
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.0194 0.2985
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0341
Giardia lamblia Ribonuclease H 0.0494 0.2428 1
Loa Loa (eye worm) RNA binding protein 0.0069 0.0282 0.2675
Echinococcus multilocularis laminin 0.0032 0.0097 0.009
Trichomonas vaginalis ribonuclease H1, putative 0.0494 0.2428 1
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0081 0.0342 0.0718
Loa Loa (eye worm) hypothetical protein 0.0032 0.0097 0.091
Brugia malayi CHE-14 protein 0.0095 0.0413 0.1699
Echinococcus granulosus Niemann Pick C1 protein 0.0316 0.1528 0.3323
Toxoplasma gondii ribonuclease HI protein 0.0494 0.2428 1
Plasmodium vivax glutathione reductase, putative 0.0051 0.0194 1
Echinococcus granulosus RNA directed DNA polymerase 0.0045 0.0162 0.0323
Schistosoma mansoni hypothetical protein 0.0035 0.0113 0.0098
Leishmania major ribonuclease H1, putative 0.0494 0.2428 1
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Onchocerca volvulus 0.0027 0.0072 0.0292
Trypanosoma brucei ribonuclease H1 0.0494 0.2428 0.241
Schistosoma mansoni phosphoglucomutase 0.0494 0.2428 0.2417
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0037 0.2771
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Echinococcus multilocularis cpg binding protein 0.0068 0.0278 0.0289
Schistosoma mansoni hypothetical protein 0.0091 0.0395 0.0381
Brugia malayi Patched related family protein 10 0.0013 0.0002 0.0006
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0032 0.0097 0.0082
Onchocerca volvulus 0.0045 0.0162 0.0661
Loa Loa (eye worm) hypothetical protein 0.0116 0.052 0.4951
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0341
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0282 0.0268
Trichomonas vaginalis NeSL-1_NeSL reverse transcriptases, putative 0.0045 0.0162 0.0637
Schistosoma mansoni cpg binding protein 0.0068 0.0278 0.0264
Echinococcus granulosus cpg binding protein 0.0068 0.0278 0.0578
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0282 0.0268
Entamoeba histolytica hypothetical protein 0.0081 0.0342 0.2755
Echinococcus granulosus dnaJ subfamily B 0.0917 0.4569 1
Echinococcus multilocularis protein patched 0.0095 0.0413 0.0437
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1293 0.6468 0.6463
Echinococcus multilocularis expressed conserved protein 0.0207 0.0982 0.1062
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0194 1
Echinococcus granulosus GPCR family 2 0.0035 0.0113 0.0215
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0024 0.1164
Brugia malayi glutathione reductase 0.0051 0.0194 0.0797
Brugia malayi hypothetical protein 0.0029 0.0081 0.0334
Entamoeba histolytica hypothetical protein 0.0081 0.0342 0.2755
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0037 0.0236
Toxoplasma gondii histone lysine methyltransferase SET1 0.0122 0.055 0.2262
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0035 0.0044
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0045 0.0162 0.0574
Schistosoma mansoni hypothetical protein 0.0035 0.0113 0.0098
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0081 0.4139
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0045 0.0162 0.0323
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0045 0.0162 0.0162
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0045 0.0162 0.0162
Echinococcus multilocularis Niemann Pick C1 protein 0.0221 0.1049 0.1136
Echinococcus multilocularis protein dispatched 1 0.0108 0.048 0.0511
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0024 0.0092
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.013 0.0592 1
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0081 0.0057
Brugia malayi CXXC zinc finger family protein 0.0064 0.0259 0.1068
Trypanosoma brucei hypothetical protein, conserved 0.0539 0.2656 0.2639
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0117 0.0526 0.8837
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0282 0.0293
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0282 0.0268
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Schistosoma mansoni egf-like domain protein 0.0032 0.0097 0.0082
Trypanosoma cruzi ribonuclease H1, putative 0.0494 0.2428 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.013 0.0592 1
Schistosoma mansoni hypothetical protein 0.0917 0.4569 0.4561
Schistosoma mansoni phosphoglucomutase 0.0494 0.2428 0.2417
Brugia malayi hypothetical protein 0.0013 0.0002 0.0006
Brugia malayi Calcium binding EGF domain containing protein 0.0032 0.0097 0.0399
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0072 0.0201
Echinococcus granulosus Tolloid protein 1 0.0032 0.0097 0.018
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0282 0.0268
Brugia malayi hypothetical protein 0.0013 0.0002 0.0006
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0024 0.0009
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.0499 0.4745
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0045 0.0162 0.0323
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0113 0.0107
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0072 1
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0162 0.0147
Brugia malayi Thioredoxin reductase 0.0051 0.0194 0.0797
Schistosoma mansoni hypothetical protein 0.0091 0.0395 0.0381
Schistosoma mansoni transcription factor LCR-F1 0.0081 0.0342 0.0327
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0072 1
Brugia malayi RNase H family protein 0.0494 0.2428 1
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0072 0.0201
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0035 0.0022
Echinococcus granulosus sterol regulatory element binding protein 0.0095 0.0413 0.0874
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0024 0.1164
Loa Loa (eye worm) glutathione reductase 0.0051 0.0194 0.1833
Brugia malayi hypothetical protein 0.0045 0.0162 0.0667
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0072 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0064 0.0259 0.246
Brugia malayi protein C24B5.3 0.0013 0.0002 0.0006
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.032 0.1318
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0282 0.0268
Brugia malayi hypothetical protein 0.0081 0.0342 0.1407
Mycobacterium tuberculosis Probable reductase 0.0117 0.0526 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0194 0.0393
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0045 0.0162 0.0162
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0072 0.0298
Trypanosoma brucei unspecified product 0.0539 0.2656 0.2639
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0081 0.0328
Loa Loa (eye worm) hypothetical protein 0.0095 0.0413 0.3923
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0032 0.0136
Brugia malayi RNA binding protein 0.0069 0.0282 0.1161
Schistosoma mansoni hypothetical protein 0.0081 0.0342 0.0327
Brugia malayi Zinc knuckle family protein 0.0045 0.0162 0.0667
Plasmodium falciparum thioredoxin reductase 0.0018 0.0024 0.1164
Echinococcus multilocularis dnaJ subfamily B 0.0917 0.4569 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0113 0.0098
Mycobacterium tuberculosis Possible maturase 0.0045 0.0162 0.2427
Echinococcus multilocularis Tolloid protein 1 0.0032 0.0097 0.009
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0045 0.0162 0.0661
Brugia malayi TAR-binding protein 0.0069 0.0282 0.1161
Schistosoma mansoni cpg binding protein 0.0068 0.0278 0.0264
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0081 0.4139
Mycobacterium tuberculosis Probable oxidoreductase 0.013 0.0592 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0032 0.0097 0.0399
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0113 0.0464
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0072 0.0851
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0221 0.1049 1
Echinococcus granulosus Protein patched homolog 1 0.0095 0.0413 0.0874
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0341
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Schistosoma mansoni hypothetical protein 0.0091 0.0395 0.0381
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Brugia malayi Patched protein homolog 1 0.0013 0.0002 0.0006
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0072 1
Onchocerca volvulus 0.0064 0.0259 0.1062
Loa Loa (eye worm) hypothetical protein 0.0032 0.0097 0.091
Brugia malayi RNase H family protein 0.0494 0.2428 1
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0282 0.1161
Plasmodium falciparum glutathione reductase 0.0018 0.0024 0.1164
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0341
Brugia malayi reverse transcriptase 0.0045 0.0162 0.0667
Echinococcus multilocularis ribonuclease H1 0.0494 0.2428 0.265
Loa Loa (eye worm) hypothetical protein 0.0076 0.032 0.3039
Echinococcus multilocularis RNA directed DNA polymerase 0.0045 0.0162 0.0162
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Loa Loa (eye worm) hypothetical protein 0.0027 0.0072 0.0675
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0117 0.0526 0.8837
Trypanosoma brucei Endonuclease-reverse transcriptase/Reverse transcriptase (RNA-dependent DNA polymerase), putative 0.0045 0.0162 0.0138
Schistosoma mansoni patched 1 0.0095 0.0413 0.0398
Echinococcus multilocularis fibrillin 1 0.0032 0.0097 0.009
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0117 0.0526 0.8837
Loa Loa (eye worm) hypothetical protein 0.0027 0.0072 0.0675
Entamoeba histolytica hypothetical protein 0.0081 0.0342 0.2755
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0194 0.1833
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0224 0.1067 0.1054
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0024 0.0067
Brugia malayi hypothetical protein 0.0045 0.0162 0.0667
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Brugia malayi Fibulin-1 precursor 0.0032 0.0097 0.0399
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0081 0.4139
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0072 0.0298
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0095 0.0413 0.3923
Schistosoma mansoni hypothetical protein 0.0091 0.0395 0.0381
Plasmodium falciparum glutathione reductase 0.0051 0.0194 1
Trypanosoma brucei RNA helicase, putative 0.1992 1 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0235 0.1122 0.1109
Leishmania major hypothetical protein, conserved 0.0029 0.0081 0.0238
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0024 0.1164
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0024 0.0092
Brugia malayi Myosin head containing protein 0.0013 0.0002 0.0006
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0032 0.0136
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0045 0.0162 0.0162
Schistosoma mansoni hypothetical protein 0.0035 0.0113 0.0098
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0494 0.2428 1
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0032 0.0097 0.091
Loa Loa (eye worm) hypothetical protein 0.0032 0.0097 0.091
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.059 0.5613
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0045 0.0162 0.0323
Toxoplasma gondii calcium binding egf domain-containing protein 0.0032 0.0097 0.0393
Onchocerca volvulus Ribonuclease H1 homolog 0.0494 0.2428 1
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0024 0.0067
Onchocerca volvulus Arrow homolog 0.0032 0.0097 0.0393
Loa Loa (eye worm) hypothetical protein 0.0027 0.0072 0.0675
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0045 0.0162 0.0574
Echinococcus multilocularis sterol regulatory element binding protein 0.0095 0.0413 0.0437
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Loa Loa (eye worm) hypothetical protein 0.002 0.0037 0.0341
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0037 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.0162 0.0574
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0045 0.0162 0.0574
Brugia malayi RNase H family protein 0.0494 0.2428 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0316 0.1528 0.1662
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Echinococcus granulosus Niemann Pick C1 protein 0.0221 0.1049 0.2272
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0032 0.0097 0.091
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0081 0.0238
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0045 0.0162 0.0574
Trichomonas vaginalis conserved hypothetical protein 0.0095 0.0413 0.1673
Loa Loa (eye worm) hypothetical protein 0.0029 0.0081 0.0759
Schistosoma mansoni hypothetical protein 0.0076 0.032 0.0306
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0037 0.1862
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0117 0.0526 0.8837
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0282 0.2675
Loa Loa (eye worm) hypothetical protein 0.0032 0.0097 0.091
Brugia malayi Pao retrotransposon peptidase family protein 0.0045 0.0162 0.0667
Echinococcus granulosus tar DNA binding protein 0.0069 0.0282 0.0587
Trypanosoma brucei SLACS retrotransposable element (part), putative 0.0045 0.0162 0.0138
Loa Loa (eye worm) hypothetical protein 0.0221 0.1049 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0045 0.0162 0.0162
Brugia malayi Patched related family protein 4 0.0013 0.0002 0.0006
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0113 0.0464
Onchocerca volvulus 0.0045 0.0162 0.0661
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0072 0.0298
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0032 0.0097 0.091
Toxoplasma gondii thioredoxin reductase 0.0051 0.0194 0.0792
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0081 0.0342 0.0359
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0033 0.0137
Treponema pallidum ribonuclease H (rnhA) 0.0494 0.2428 1
Trichomonas vaginalis reverse transcriptases, putative 0.0045 0.0162 0.0637
Brugia malayi Patched family protein 0.0013 0.0002 0.0006
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0024 0.1164

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.2 nM Binding affinity towards human factor Xa ChEMBL. 15454208
Ki (binding) = 0.2 nM Binding affinity towards human factor Xa ChEMBL. 15454208
Ki (binding) = 5.5 nM Binding affinity towards human factor IXa ChEMBL. 15454208
Ki (binding) = 5.5 nM Binding affinity towards human factor IXa ChEMBL. 15454208
Ratio (binding) = 28 Ratio of binding affinity towards human factor IXa to that of human factor Xa ChEMBL. 15454208

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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