Detailed information for compound 437067

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 569.524 | Formula: C24H26Cl2N4O4S2
  • H donors: 1 H acceptors: 4 LogP: 3.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(c(c1)S(=O)(=O)N1CCC(CC1)N(S(=O)(=O)C)Cc1ccc2c(c1)cc(cc2)C(=N)N)Cl
  • InChi: 1S/C24H26Cl2N4O4S2/c1-35(31,32)30(15-16-2-3-17-4-5-18(24(27)28)13-19(17)12-16)21-8-10-29(11-9-21)36(33,34)23-14-20(25)6-7-22(23)26/h2-7,12-14,21H,8-11,15H2,1H3,(H3,27,28)
  • InChiKey: QFABAFSGFBWMTQ-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 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
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0085 0.0105
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0007
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0035 0.0126 0.2203
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.01 0.0573 0.0557
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.1471 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0061 0.0071
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0038 0.015 0.0129
Echinococcus multilocularis zinc finger protein 0.0021 0.0031 0.0019
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.01 0.0573 0.0557
Schistosoma mansoni tyrosine kinase 0.025 0.1605 0.1664
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0013 0.0013
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0309 0.2011 0.2904
Loa Loa (eye worm) hypothetical protein 0.0025 0.0061 0.0071
Leishmania major phosphopantetheinyl transferase-like protein 0.0025 0.0059 0.1029
Entamoeba histolytica hypothetical protein 0.0038 0.0151 0.0468
Loa Loa (eye worm) hypothetical protein 0.0041 0.0168 0.0226
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.0518 0.0508
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0164 0.0147
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.01 0.0573 1
Plasmodium falciparum thioredoxin reductase 0.004 0.0164 0.0147
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.01 0.0573 0.0517
Schistosoma mansoni hypothetical protein 0.0022 0.0039 0.004
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0035 0.0132 0.0103
Brugia malayi Protein kinase domain containing protein 0.0549 0.3661 0.5263
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0035 0.0127 0.063
Onchocerca volvulus 0.0088 0.0495 0.8467
Loa Loa (eye worm) TK/EGFR protein kinase 0.025 0.1605 0.2314
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0151 0.0143
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0055 0.0265 0.0997
Brugia malayi Protein kinase domain containing protein 0.0304 0.1975 0.2798
Leishmania major oxidoreductase-like protein 0.01 0.0573 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0013 0.0013
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.01 0.0573 0.0557
Plasmodium vivax glutathione reductase, putative 0.004 0.0164 0.0147
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.202 0.1918
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0061 0.0044
Loa Loa (eye worm) hypothetical protein 0.004 0.0164 0.0219
Schistosoma mansoni tyrosine kinase 0.0245 0.1574 0.1632
Schistosoma mansoni intermediate filament proteins 0.0029 0.0085 0.0088
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0061 0.0002
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.0588 0.0532
Leishmania major dehydrogenase/oxidoreductase-like protein 0.01 0.0573 1
Schistosoma mansoni tyrosine kinase 0.0549 0.3661 0.3797
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.01 0.0573 0.0815
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0074 0.0394 0.0487
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.0518 0.0508
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0035 0.0126 0.0628
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.01 0.0573 0.0563
Schistosoma mansoni tyrosine kinase 0.0549 0.3661 0.3797
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0074 0.0394 0.0396
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0114 0.067 0.0682
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0164 0.0154
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0061 0.0044
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0061 0.0051
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0114 0.067 0.3331
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0114 0.067 0.0695
Brugia malayi Cell division protein ftsZ 0.0147 0.0899 0.1224
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.01 0.0573 0.0582
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.202 0.1918
Mycobacterium tuberculosis Cell division protein FtsZ 0.0298 0.1935 0.1927
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0152 0.093 0.092
Schistosoma mansoni lamin 0.0029 0.0085 0.0088
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0059 0.0041
Echinococcus granulosus zinc finger protein 0.0021 0.0031 0.0019
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0007
Echinococcus granulosus expressed protein 0.0035 0.0132 0.0124
Brugia malayi intermediate filament protein 0.0029 0.0085 0.0035
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0035 0.0126 0.0343
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.025 0.1605 0.1653
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1021 0.6902 0.7154
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.01 0.0573 0.0557
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.01 0.0573 0.0557
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0038 0.015 0.0463
Schistosoma mansoni zinc finger protein 0.0021 0.0031 0.0032
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.009 0.051 0.2301
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0114 0.067 0.0889
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.01 0.0573 0.0563
Schistosoma mansoni tyrosine kinase 0.0245 0.1574 0.1632
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0053 0.0042
Treponema pallidum fructose-bisphosphate aldolase 0.031 0.202 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0053 0.0042
Loa Loa (eye worm) hypothetical protein 0.0074 0.0394 0.0555
Trichomonas vaginalis rotamase, putative 0.0035 0.0132 0.0006
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.1471 1 1
Echinococcus granulosus lamin dm0 0.0029 0.0085 0.0075
Brugia malayi hypothetical protein 0.0038 0.0151 0.0131
Echinococcus multilocularis lamin 0.0029 0.0085 0.0075
Trypanosoma brucei oxidoreductase-like protein 0.01 0.0573 1
Onchocerca volvulus 0.0029 0.0085 0.0464
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0025 0.0059 0.0048
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0061 0.107
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0085 0.0105
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.01 0.0573 0.2851
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0025 0.0059 0.0041
Loa Loa (eye worm) hypothetical protein 0.0299 0.1945 0.2809
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.01 0.0573 0.0517
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.01 0.0573 0.0557
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0013 0.0013
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0309 0.2011 1
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Plasmodium falciparum glutathione reductase 0.004 0.0164 0.0147
Toxoplasma gondii peptidylprolyl isomerase 0.0035 0.0126 0.0068
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0017 0.0006
Echinococcus granulosus lamin 0.0029 0.0085 0.0075
Brugia malayi Furin-like cysteine rich region family protein 0.025 0.1605 0.2256
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0078 0.0425 0.0303
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0025 0.0059 0.0041
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.0588 0.0578
Echinococcus multilocularis L aminoadipate semialdehyde 0.0088 0.0495 0.05
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0061 0.107
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.202 0.1918
Schistosoma mansoni protein kinase 0.1021 0.6902 0.7158
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0038 0.015 0.0745
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.202 0.1918
Loa Loa (eye worm) phosphatidylinositol 3 0.0035 0.0127 0.0166
Onchocerca volvulus 0.01 0.0573 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.1471 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0573 0.0815
Schistosoma mansoni hypothetical protein 0.018 0.1124 0.1166
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0114 0.067 0.3115
Schistosoma mansoni dihydropteridine reductase 0.01 0.0573 0.0594
Trichomonas vaginalis hypothetical protein 0.1471 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0199 0.0271
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0324 0.0323
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0114 0.067 0.055
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0549 0.3661 0.3789
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0088 0.0495 0.0634
Giardia lamblia Fructose-bisphosphate aldolase 0.031 0.202 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0114 0.067 0.055
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0061 0.0044
Loa Loa (eye worm) phosphatidylinositol 3 0.009 0.051 0.0723
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.01 0.0573 0.0557
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0038 0.015 0.0463
Echinococcus multilocularis epidermal growth factor receptor 0.025 0.1605 0.1653
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0035 0.0132 0.0173
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0061 0.0012
Mycobacterium leprae cell division protein FtsZ 0.0298 0.1935 0.1888
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0007
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.01 0.0573 0.0563
Schistosoma mansoni hypothetical protein 0.0038 0.0151 0.0156
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0152 0.093 0.0914
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0061 0.0044
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.011 0.0647 0.2997
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.01 0.0573 0.0557
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.202 0.1918
Leishmania major 3-oxoacyl-ACP reductase, putative 0.01 0.0573 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0061 0.0071
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0025 0.0059 0.0041
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0324 0.0323
Loa Loa (eye worm) hypothetical protein 0.0028 0.0082 0.01
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.01 0.0573 0.0557
Echinococcus multilocularis geminin 0.018 0.1124 0.1154
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.01 0.0573 0.2623
Loa Loa (eye worm) hypothetical protein 0.0075 0.0404 0.0569
Trypanosoma cruzi oxidoreductase-like protein, putative 0.01 0.0573 0.2851
Schistosoma mansoni tyrosine kinase 0.025 0.1605 0.1664
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0059 0.0041
Chlamydia trachomatis oxoacy-ACP reductase 0.01 0.0573 0.0557
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0151 0.0156
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0061 0.0051
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0013 0.0013
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1021 0.6902 0.7154
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.01 0.0573 0.0582
Loa Loa (eye worm) hypothetical protein 0.0088 0.0495 0.0701
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.01 0.0573 0.0517
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.1471 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Toxoplasma gondii thioredoxin reductase 0.004 0.0164 0.0106
Onchocerca volvulus 0.01 0.0573 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0061 0.0044
Echinococcus granulosus microtubule associated protein 2 0.1419 0.9643 1
Brugia malayi Neuronal symmetry protein 1 0.1021 0.6902 1
Mycobacterium tuberculosis Probable oxidoreductase 0.01 0.0573 0.0563
Echinococcus granulosus geminin 0.018 0.1124 0.1154
Echinococcus multilocularis epidermal growth factor receptor 0.025 0.1605 0.1653
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0007
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.01 0.0573 0.0517
Trypanosoma brucei trypanothione reductase 0.004 0.0164 0.2866
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0038 0.015 0.2613
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0164 0.022
Schistosoma mansoni protein kinase 0.1021 0.6902 0.7158
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0164 0.0817
Loa Loa (eye worm) TK/INSR protein kinase 0.0549 0.3661 0.5304
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.01 0.0573 0.0557
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.01 0.0573 0.0557
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.1471 1 1
Brugia malayi Bromodomain containing protein 0.008 0.0435 0.0547
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0061 0.0012
Echinococcus multilocularis insulin receptor 0.0549 0.3661 0.3789
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0151 0.0143
Mycobacterium tuberculosis Possible oxidoreductase 0.01 0.0573 0.0563
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0038 0.015 0.0155
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.015 0.0143
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.01 0.0573 0.0517
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Leishmania major pteridine reductase 1 0.01 0.0573 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0061 0.0012
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.0518 0.0508
Schistosoma mansoni tyrosine kinase 0.0245 0.1574 0.1632
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0035 0.0126 0.0628
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.01 0.0573 0.0557
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.01 0.0573 0.0557
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Mycobacterium tuberculosis Probable reductase 0.0092 0.0518 0.0508
Loa Loa (eye worm) hypothetical protein 0.0043 0.0186 0.0251
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.01 0.0573 0.0557
Entamoeba histolytica hypothetical protein 0.0038 0.0151 0.0468
Entamoeba histolytica hypothetical protein 0.0038 0.0151 0.0468
Echinococcus multilocularis musashi 0.0029 0.0085 0.0075
Echinococcus multilocularis microtubule associated protein 2 0.1419 0.9643 1
Loa Loa (eye worm) hypothetical protein 0.1019 0.6891 1
Brugia malayi Cell division protein ftsZ 0.0143 0.0871 0.1183
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0038 0.015 0.0024
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.005 0.0235 0.0897
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0078 0.0425 0.0303
Plasmodium vivax enoyl-acyl carrier protein reductase 0.1471 1 1
Brugia malayi Thioredoxin reductase 0.004 0.0164 0.0151
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0088 0.0495 0.0513
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.0588 0.0578
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0035 0.0126 0.2203
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0018 0.0007
Echinococcus multilocularis expressed protein 0.0035 0.0132 0.0124
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0061 0.0044
Mycobacterium ulcerans cell division protein FtsZ 0.0298 0.1935 0.1921
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0061 0.0044
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0074 0.0394 0.0396
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.01 0.0573 0.0563
Schistosoma mansoni rotamase 0.0035 0.0132 0.0137
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.202 0.1918
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.01 0.0573 0.0748
Onchocerca volvulus 0.0029 0.0085 0.0464
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0059 0.1029
Leishmania major trypanothione reductase 0.004 0.0164 0.2866
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.015 0.0143
Entamoeba histolytica hypothetical protein 0.0038 0.0151 0.0468
Mycobacterium ulcerans oxidoreductase 0.01 0.0573 0.0557
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.01 0.0573 0.0557
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.01 0.0573 0.0557
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.01 0.0573 0.0748
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0298 0.1935 0.1888
Echinococcus granulosus intermediate filament protein 0.0029 0.0085 0.0075
Entamoeba histolytica hypothetical protein 0.009 0.051 0.2301
Schistosoma mansoni bromodomain containing protein 0.0067 0.035 0.0363
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0038 0.015 0.0024
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0038 0.015 0.0024
Loa Loa (eye worm) oxidoreductase 0.01 0.0573 0.0815
Echinococcus granulosus insulin receptor 0.0549 0.3661 0.3789
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0114 0.067 0.055
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.01 0.0573 0.2851
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0168 0.0161
Trypanosoma brucei pteridine reductase 1 0.01 0.0573 1
Echinococcus multilocularis lamin dm0 0.0029 0.0085 0.0075
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0092 0.0518 0.0461
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.01 0.0573 0.0557
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.202 0.1918
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0114 0.067 0.3331
Echinococcus granulosus L aminoadipate semialdehyde 0.0088 0.0495 0.05
Mycobacterium tuberculosis Possible oxidoreductase 0.01 0.0573 0.0563
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0309 0.2011 1
Echinococcus granulosus epidermal growth factor receptor 0.025 0.1605 0.1653
Schistosoma mansoni lamin 0.0029 0.0085 0.0088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.202 0.1918
Loa Loa (eye worm) hypothetical protein 0.0029 0.0085 0.0105
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.0518 0.0508
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0114 0.067 0.0682
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.1471 1 1
Brugia malayi Bromodomain containing protein 0.0041 0.0168 0.0156
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0132 0.0006
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.01 0.0573 0.0594
Echinococcus multilocularis 0.0072 0.0381 0.0383
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.031 0.202 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0007
Mycobacterium ulcerans short chain dehydrogenase 0.01 0.0573 0.0557
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0039 0.0038
Schistosoma mansoni microtubule-associated protein tau 0.1419 0.9643 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0168 0.0161
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.01 0.0573 0.0563
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.031 0.202 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.01 0.0573 0.0563
Schistosoma mansoni hypothetical protein 0.018 0.1124 0.1166
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.01 0.0573 0.0517
Schistosoma mansoni tyrosine kinase 0.025 0.1605 0.1664
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0152 0.093 0.0876
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.0518 0.0508
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0061 0.0044
Loa Loa (eye worm) glutathione reductase 0.004 0.0164 0.022
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.0588 0.0578
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.01 0.0573 0.0557
Loa Loa (eye worm) hypothetical protein 0.0307 0.2 0.2889
Treponema pallidum cell division protein FtsZ 0.0298 0.1935 0.9569
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.01 0.0573 0.0557
Loa Loa (eye worm) retinol dehydrogenase 12 0.01 0.0573 0.0815
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0549 0.3661 0.3789
Echinococcus granulosus epidermal growth factor receptor 0.025 0.1605 0.1653
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0053 0.0055
Leishmania major dehydrogenase/oxidoreductase-like protein 0.01 0.0573 1
Brugia malayi glutathione reductase 0.004 0.0164 0.0151
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0061 0.107
Brugia malayi PHD-finger family protein 0.0026 0.007 0.0013
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0085 0.0035
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0061 0.0002

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.065 uM Inhibition of human factor 10a ChEMBL. 17416533
IC50 (binding) = 0.065 uM Inhibition of human factor 10a ChEMBL. 17416533
Selectivity ratio (binding) > 100 Selectivity for human factor 10a over human trypsin ChEMBL. 17416533
Selectivity ratio (binding) > 7000 Selectivity for human factor 10a over human thrombin ChEMBL. 17416533

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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