Detailed information for compound 950749

Basic information

Technical information
  • TDR Targets ID: 950749
  • Name: 6-[4-[1-(diethylaminomethyl)cyclopropyl]pheny l]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4, 5-dihydropyrazolo[5,4-c]pyridin-7-one
  • MW: 512.567 | Formula: C28H31F3N4O2
  • H donors: 0 H acceptors: 2 LogP: 5.49 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(CC1(CC1)c1ccc(cc1)N1CCc2c(C1=O)n(nc2C(F)(F)F)c1ccc(cc1)OC)CC
  • InChi: 1S/C28H31F3N4O2/c1-4-33(5-2)18-27(15-16-27)19-6-8-20(9-7-19)34-17-14-23-24(26(34)36)35(32-25(23)28(29,30)31)21-10-12-22(37-3)13-11-21/h6-13H,4-5,14-18H2,1-3H3
  • InChiKey: WRIXMSJJUBCUTJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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) DNA topoisomerase III beta-1 0.0024 0.0221 0.0221
Echinococcus multilocularis amyloid beta A4 protein 0.008 0.2484 0.2484
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0052 0.1385 0.5162
Trypanosoma cruzi cytochrome P450, putative 0.0082 0.2599 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0371 0.0371
Trypanosoma cruzi DNA topoisomerase III, putative 0.0046 0.1106 0.4254
Echinococcus granulosus voltage dependent calcium channel 0.0111 0.3771 0.3771
Schistosoma mansoni tar DNA-binding protein 0.0073 0.2233 0.3094
Loa Loa (eye worm) hypothetical protein 0.0027 0.0371 0.0371
Entamoeba histolytica hypothetical protein 0.004 0.0892 0.7816
Brugia malayi Calcitonin receptor-like protein seb-1 0.017 0.6165 0.6165
Schistosoma mansoni hypothetical protein 0.0054 0.1443 0.2
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.1443 0.1443
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.009 0.0814
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0052 0.1385 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0371 0.0371
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0052 0.1385 1
Brugia malayi Cytochrome P450 family protein 0.0082 0.2599 0.2599
Leishmania major DNA topoisomerase 1A 0.0046 0.1106 0.3704
Loa Loa (eye worm) hypothetical protein 0.0076 0.2358 0.2358
Schistosoma mansoni hypothetical protein 0.0196 0.7216 1
Schistosoma mansoni voltage-gated cation channel 0.0111 0.3771 0.5226
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0046 0.1106 0.4254
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0371 0.0371
Onchocerca volvulus 0.0054 0.1449 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0052 0.1385 1
Toxoplasma gondii exonuclease III APE 0.0021 0.0129 0.0614
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1406 0.1406
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.4848 0.4848
Entamoeba histolytica hypothetical protein 0.004 0.0892 0.7816
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0052 0.1385 0.5329
Mycobacterium ulcerans DNA topoisomerase I 0.0046 0.1106 0.4048
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0089
Schistosoma mansoni tar DNA-binding protein 0.0073 0.2233 0.3094
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0046 0.1106 0.7244
Toxoplasma gondii DNA topoisomerase family protein 0.0046 0.1106 0.5265
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0052 0.1385 1
Schistosoma mansoni hypothetical protein 0.0054 0.1443 0.2
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0052 0.1385 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0052 0.1385 0.5162
Loa Loa (eye worm) hypothetical protein 0.0054 0.1443 0.1443
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0129 0.0496
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0371 0.1122
Treponema pallidum DNA topoisomerase I (topA) 0.0092 0.2985 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0052 0.1385 0.6595
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0129 0.0496
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1406 0.1406
Leishmania major DNA topoisomerase III, putative 0.0024 0.0221 0.0739
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0111 0.3771 0.3771
Schistosoma mansoni hypothetical protein 0.0196 0.7216 1
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0024 0.0221 0.0221
Echinococcus granulosus GPCR family 2 0.0054 0.1443 0.1443
Loa Loa (eye worm) hypothetical protein 0.0021 0.009 0.009
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.1443 0.1443
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0045 0.0322
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1406 0.1949
Schistosoma mansoni tar DNA-binding protein 0.0073 0.2233 0.3094
Loa Loa (eye worm) CYP4Cod1 0.0082 0.2599 0.2599
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0045 0.0322
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0111 0.3771 0.3771
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0052 0.1385 0.5162
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0082 0.2599 1
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0052 0.1385 0.5162
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.1443 0.1443
Echinococcus multilocularis tar DNA binding protein 0.0073 0.2233 0.2233
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.1443 0.1443
Echinococcus multilocularis voltage dependent calcium channel 0.0111 0.3771 0.3771
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0052 0.1385 0.5162
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0052 0.1385 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0052 0.1385 0.5162
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0111 0.3771 0.3771
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0092 0.2985 1
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.009 0.0814
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0052 0.1385 1
Trypanosoma brucei DNA topoisomerase III, putative 0.0024 0.0221 0.0849
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.1443 0.1443
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1406 0.1406
Trypanosoma brucei DNA topoisomerase III, putative 0.0046 0.1106 0.4254
Loa Loa (eye worm) DNA topoisomerase III 0.0046 0.1106 0.1106
Schistosoma mansoni tar DNA-binding protein 0.0073 0.2233 0.3094
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0046 0.1106 1
Echinococcus granulosus survival motor neuron protein 1 0.0265 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0052 0.1385 1
Schistosoma mansoni hypothetical protein 0.004 0.0892 0.1236
Trypanosoma cruzi DNA topoisomerase III, putative 0.0046 0.1106 0.4254
Giardia lamblia DNA topoisomerase III 0.0046 0.1106 1
Toxoplasma gondii SWI2/SNF2-containing protein 0.0046 0.1137 0.5416
Brugia malayi MH2 domain containing protein 0.0138 0.4848 0.4848
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0892 0.0892
Brugia malayi cytochrome P450 0.0052 0.1385 0.1385
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0371 0.1244
Echinococcus granulosus geminin 0.0196 0.7216 0.7216
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0068 0.2004 0.7709
Entamoeba histolytica DNA topoisomerase III, putative 0.0024 0.0221 0.0939
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0371 0.2682
Schistosoma mansoni amyloid beta A4 protein related 0.008 0.2484 0.3442
Loa Loa (eye worm) hypothetical protein 0.0023 0.0203 0.0203
Loa Loa (eye worm) calcium channel 0.0111 0.3771 0.3771
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0047 0.1173 0.1173
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0371 0.1122
Schistosoma mansoni hypothetical protein 0.0054 0.1443 0.2
Plasmodium falciparum DNA topoisomerase 3, putative 0.0046 0.1106 1
Loa Loa (eye worm) hypothetical protein 0.017 0.6165 0.6165
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0111 0.3771 0.3771
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0052 0.1385 1
Brugia malayi DNA topoisomerase III 0.0046 0.1106 0.1106
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1406 0.1406
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0052 0.1385 0.5162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1406 0.1949
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0371 0.1122
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0129 0.0496
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0052 0.1385 0.5162
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0052 0.1385 0.5162
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0111 0.3771 0.3771
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0052 0.1385 0.5329
Mycobacterium ulcerans hypothetical protein 0.0027 0.0371 0.1122
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0111 0.3771 0.5226
Echinococcus multilocularis survival motor neuron protein 1 0.0265 1 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0052 0.1385 0.5162
Schistosoma mansoni ap endonuclease 0.0021 0.0129 0.0179
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0371 0.2484
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0129 0.0155
Loa Loa (eye worm) hypothetical protein 0.0116 0.398 0.398
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0129 0.0129
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0892 0.1236
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0052 0.1385 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0052 0.1385 1
Brugia malayi Cytochrome P450 family protein 0.0052 0.1385 0.1385
Loa Loa (eye worm) hypothetical protein 0.0021 0.009 0.009
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0052 0.1385 0.5162
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0046 0.1106 0.1106
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0111 0.3771 0.3771
Trypanosoma cruzi DNA topoisomerase III, putative 0.0024 0.0221 0.0849
Plasmodium vivax DNA topoisomerase 3, putative 0.0046 0.1106 1
Brugia malayi hypothetical protein 0.004 0.0892 0.0892
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0045 0.0322
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0111 0.3771 0.3771
Leishmania major cytochrome p450-like protein 0.0052 0.1385 0.464
Schistosoma mansoni tar DNA-binding protein 0.0073 0.2233 0.3094
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0068 0.2004 0.7709
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0052 0.1385 1
Toxoplasma gondii hypothetical protein 0.002 0.0089 0.0424
Echinococcus multilocularis rho GTPase activating protein 20 0.0046 0.1106 0.1106
Toxoplasma gondii transporter, cation channel family protein 0.0023 0.0203 0.0967
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0045 0.0322
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0052 0.1385 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0371 0.1122
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0129 0.0129
Echinococcus multilocularis voltage dependent calcium channel 0.0111 0.3771 0.3771
Chlamydia trachomatis DNA topoisomerase I 0.0092 0.2985 1
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0071 0.2143 0.2143
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0052 0.1385 0.5162
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0111 0.3771 0.5226
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0052 0.1385 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0052 0.1385 0.464
Loa Loa (eye worm) cytochrome P450 family protein 0.014 0.4922 0.4922
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0371 0.2682
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.2233 0.2233
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0024 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0265 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0371 0.0371
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.1443 0.1443
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0129 0.1166
Brugia malayi latrophilin 2 splice variant baaae 0.0116 0.398 0.398
Schistosoma mansoni hypothetical protein 0.0054 0.1443 0.2
Loa Loa (eye worm) TAR-binding protein 0.0073 0.2233 0.2233
Loa Loa (eye worm) cytochrome P450 family protein 0.0082 0.2599 0.2599
Mycobacterium leprae putative cytochrome p450 0.0052 0.1385 1
Onchocerca volvulus 0.0027 0.0371 0.1228
Entamoeba histolytica hypothetical protein 0.004 0.0892 0.7816
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0052 0.1385 0.5162
Loa Loa (eye worm) hypothetical protein 0.0021 0.009 0.009
Echinococcus multilocularis GPCR, family 2 0.0054 0.1443 0.1443
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0052 0.1385 0.5162
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0052 0.1385 0.5162
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0371 0.1122
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0052 0.1385 0.5329
Giardia lamblia DNA topoisomerase III 0.0024 0.0221 0.0939
Echinococcus multilocularis 0.0052 0.1385 0.1385
Loa Loa (eye worm) X11 protein 0.008 0.2484 0.2484
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0046 0.1106 1
Loa Loa (eye worm) RNA binding protein 0.0073 0.2233 0.2233
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0052 0.1385 0.5162
Schistosoma mansoni survival motor neuron protein 0.0054 0.1449 0.2008
Trypanosoma cruzi cytochrome P450, putative 0.0082 0.2599 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.017 0.6165 0.6165
Schistosoma mansoni hypothetical protein 0.0054 0.1449 0.2008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1406 0.1949
Brugia malayi Cytochrome P450 family protein 0.0082 0.2599 0.2599
Loa Loa (eye worm) voltage-dependent calcium channel 0.0023 0.0203 0.0203
Echinococcus granulosus tar DNA binding protein 0.0073 0.2233 0.2233
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0129 0.1166
Mycobacterium tuberculosis DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (nicking-c 0.0022 0.0143 0.1033
Entamoeba histolytica hypothetical protein 0.004 0.0892 0.7816
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0892 0.0892
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0052 0.1385 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.017 0.6165 0.6165
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1406 0.1406
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0052 0.1385 1
Schistosoma mansoni hypothetical protein 0.0052 0.1385 0.1919
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0371 0.2484
Brugia malayi TAR-binding protein 0.0073 0.2233 0.2233
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0052 0.1385 0.5162
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0052 0.1385 1
Leishmania major cytochrome p450-like protein 0.0082 0.2599 0.8706
Echinococcus multilocularis sodium channel protein 0.0047 0.1173 0.1173
Brugia malayi Cytochrome P450 family protein 0.014 0.4922 0.4922
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0371 0.1244
Schistosoma mansoni hypothetical protein 0.0116 0.398 0.5515
Echinococcus multilocularis geminin 0.0196 0.7216 0.7216
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0371 0.2484
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0024 0.0221 0.0306
Brugia malayi hypothetical protein 0.0076 0.2358 0.2358
Echinococcus granulosus cytochrome P450 2K1 0.0052 0.1385 0.1385
Loa Loa (eye worm) hypothetical protein 0.0021 0.009 0.009
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0052 0.1385 1
Brugia malayi RNA binding protein 0.0073 0.2233 0.2233
Trypanosoma brucei cytochrome P450, putative 0.0082 0.2599 1
Trypanosoma brucei DNA topoisomerase IA, putative 0.0046 0.1106 0.4254
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.4848 0.4848
Schistosoma mansoni cytochrome P450 0.0052 0.1385 0.1919
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0129 0.0931
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.1449 0.1449
Echinococcus granulosus amyloid beta A4 protein 0.008 0.2484 0.2484
Brugia malayi DNA topoisomerase III beta-1 0.0024 0.0221 0.0221
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0371 0.1244
Loa Loa (eye worm) hypothetical protein 0.0111 0.3771 0.3771
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0052 0.1385 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0129 0.0129
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0371 0.1122
Loa Loa (eye worm) hypothetical protein 0.003 0.0472 0.0472
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0111 0.3771 0.3771
Loa Loa (eye worm) hypothetical protein 0.002 0.0089 0.0089
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0046 0.1106 0.4254
Echinococcus granulosus voltage dependent calcium channel 0.0023 0.0203 0.0203
Leishmania major DNA topoisomerase III, putative 0.0092 0.2985 1
Entamoeba histolytica DNA topoisomerase III, putative 0.0046 0.1106 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0052 0.1385 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0052 0.1385 0.5162
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0129 0.0129
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0092 0.2985 0.4137
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.009 0.065
Loa Loa (eye worm) cytochrome P450 family protein 0.0082 0.2599 0.2599
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0052 0.1385 0.5162
Loa Loa (eye worm) cytochrome P450 0.0052 0.1385 0.1385
Brugia malayi Latrophilin receptor protein 2 0.0054 0.1443 0.1443
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.007 0.21 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.009 0.009
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1406 0.1406
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0129 0.0432
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0052 0.1385 0.5329
Leishmania major cytochrome p450-like protein 0.0052 0.1385 0.464
Loa Loa (eye worm) hypothetical protein 0.0027 0.0371 0.0371
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.2233 0.2233
Schistosoma mansoni ap endonuclease 0.0021 0.0129 0.0179
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0371 0.1122
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0052 0.1385 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0052 0.1385 0.5162

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of human factor 7a ChEMBL. 18550370
Activity (binding) Inhibition of human factor 9a ChEMBL. 18550370
Activity (binding) Inhibition of human trypsin ChEMBL. 18550370
Activity (binding) Inhibition of human plasma kallikrein ChEMBL. 18550370
Activity (binding) Inhibition of human activated protein C ChEMBL. 18550370
Activity (binding) Inhibition of human tPA ChEMBL. 18550370
Activity (binding) Inhibition of human plasmin ChEMBL. 18550370
Ki (binding) < 0.02 nM Inhibition of human factor 10a ChEMBL. 18550370
Ki (functional) = 1.9 nM Anticoagulant activity in human plasma assessed as concentration required to double prothrombin time ChEMBL. 18550370

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18550370

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.