Detailed information for compound 70899

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 299.323 | Formula: C15H10FN3OS
  • H donors: 1 H acceptors: 3 LogP: 3.99 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(s1)n1nc2c(c1O)cnc1c2cccc1F
  • InChi: 1S/C15H10FN3OS/c1-8-5-6-12(21-8)19-15(20)10-7-17-14-9(13(10)18-19)3-2-4-11(14)16/h2-7,20H,1H3
  • InChiKey: GUGMWSBPAQJOBS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0111 0.2145 0.8103
Mycobacterium ulcerans polyketide synthase Pks9 0.0024 0.0153 0.0217
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 2 KasB (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0133 0.2626 1
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1249 1
Echinococcus multilocularis dna polymerase eta 0.0066 0.1118 0.3534
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0156 0.3163 0.3124
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0024 0.0153 0.0254
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0156 0.3163 1
Echinococcus granulosus dna polymerase kappa 0.004 0.0521 0.1646
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0961 0.1362
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0328 0.7053 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 2 KasB (beta-ketoacyl-ACP synthase) (KAS I) 0.0133 0.2626 0.3723
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0521 0.1646
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0024 0.0153 0.0217
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0024 0.0153 0.0217
Mycobacterium ulcerans polyketide synthase 0.0024 0.0153 0.0217
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0601 0.0517
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0521 0.0738
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0512 0.1618
Schistosoma mansoni ap endonuclease 0.0019 0.0057 0.0179
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.1163 0.1113
Echinococcus granulosus dna polymerase eta 0.0066 0.1118 0.3534
Loa Loa (eye worm) hypothetical protein 0.0457 1 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0961 0.3038
Schistosoma mansoni lozenge 0.0057 0.0918 0.2904
Echinococcus multilocularis dna polymerase kappa 0.004 0.0521 0.1646
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0328 0.7053 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0088 0.0125
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.1163 0.3678
Loa Loa (eye worm) glutathione reductase 0.0049 0.0724 0.0671
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0521 0.1646
Mycobacterium ulcerans epimerase 0.0021 0.0088 0.0125
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.0961 0.1362
Entamoeba histolytica fatty acid elongase, putative 0.0043 0.0582 0.4744
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.003 0.0287 0.0907
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0156 0.3163 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0521 0.1646
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0057 0.008
Toxoplasma gondii type I fatty acid synthase, putative 0.0024 0.0153 0.0484
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0025 0.0191 0.0271
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0521 0.0521
Schistosoma mansoni blooms syndrome DNA helicase 0.0027 0.0239 0.0755
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0328 0.7053 1
Schistosoma mansoni chromobox protein 0.0072 0.1249 0.395
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0079 0.1413 0.5219
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0521 0.1646
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0153 0.0217
Echinococcus granulosus bloom syndrome protein 0.0042 0.0581 0.1836
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0079 0.1413 0.2003
Trypanosoma brucei unspecified product 0.0027 0.024 0.0758
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.1163 0.3678
Entamoeba histolytica fatty acid elongase, putative 0.0043 0.0582 0.4744
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0057 0.0179
Brugia malayi Hypothetical 29.7 kDa protein C05D11.5 in chromosome III 0.0021 0.0088 0.0088
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0156 0.3163 0.4485
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.0961 0.3038
Mycobacterium ulcerans fatty acid synthase Fas 0.0024 0.0153 0.0217
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 1 KasA (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0133 0.2626 1
Toxoplasma gondii endonuclease IV APN 0.0079 0.1413 0.4467
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.024 0.0758
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0724 0.1027
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0156 0.3163 0.4485
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0057 0.0179
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0521 0.1646
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0024 0.0153 0.0217
Loa Loa (eye worm) hypothetical protein 0.0066 0.1118 0.1067
Schistosoma mansoni DNA helicase recq5 0.003 0.0287 0.0907
Schistosoma mansoni chromobox protein 0.0072 0.1249 0.395
Mycobacterium ulcerans endonuclease IV 0.0079 0.1413 0.2003
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0024 0.0153 0.0217
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0724 0.229
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0032 0.0348 0.1099
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0156 0.3163 0.4485
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0024 0.0153 0.0254
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0328 0.7053 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0156 0.3163 1
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0521 0.1646
Trichomonas vaginalis DNA helicase recq, putative 0.0042 0.0581 0.4649
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.2145 0.3041
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.1163 0.3678
Echinococcus granulosus ATP dependent DNA helicase Q1 0.003 0.0287 0.0907
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0521 0.1646
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0156 0.3163 0.3163
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0057 0.008
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0024 0.0153 0.0484
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0328 0.7053 1
Schistosoma mansoni DNA polymerase eta 0.0066 0.1118 0.3534
Giardia lamblia DINP protein human, muc B family 0.004 0.0521 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.0961 0.3038
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0156 0.3163 1
Echinococcus multilocularis chromobox protein 1 0.0072 0.1249 0.395
Loa Loa (eye worm) hypothetical protein 0.0328 0.7053 0.7037
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0153 0.0217
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.2427 0.9215
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0024 0.0153 0.0254
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0521 0.4192
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.003 0.0287 0.0907
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0264 0.2114
Brugia malayi Heterochromatin protein 1 0.0072 0.1249 0.1249
Leishmania major DNA polymerase eta, putative 0.0039 0.0494 0.1562
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0024 0.0153 0.0153
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.1163 0.3678
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0153 0.0217
Trichomonas vaginalis DNA helicase recq, putative 0.0032 0.0348 0.2784
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0156 0.3163 0.4485
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0961 0.0961
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0024 0.0153 0.0217
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0024 0.0153 0.0254
Loa Loa (eye worm) hypothetical protein 0.0024 0.0153 0.0097
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0024 0.0153 0.0217
Echinococcus granulosus chromobox protein 1 0.0072 0.1249 0.395
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0153 0.0217
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0156 0.3163 0.4485
Mycobacterium ulcerans hypothetical protein 0.0021 0.0088 0.0125
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0531 0.4254
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0024 0.0153 0.0153
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0521 0.0738
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0024 0.0153 0.0217
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0156 0.3163 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0724 0.229
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.1163 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 1 KasA (beta-ketoacyl-ACP synthase) (KAS I) 0.0133 0.2626 0.3723
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0057 0.0179
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0153 0.0217
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0156 0.3163 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0024 0.0153 0.0217
Leishmania major trypanothione reductase 0.0049 0.0724 0.229
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0055 0.087 0.0818
Trichomonas vaginalis DNA helicase recq1, putative 0.0042 0.0581 0.4649
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0601 0.4811
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0521 0.0738
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0724 0.0671
Schistosoma mansoni DNA helicase recq1 0.003 0.0287 0.0907
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0032 0.0348 0.1099
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0024 0.0153 0.0217
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0025 0.0178 0.0562
Entamoeba histolytica fatty acid elongase, putative 0.0043 0.0582 0.4744
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0328 0.7053 1
Onchocerca volvulus 0.0024 0.0153 0.0065
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.003 0.0287 0.0407
Toxoplasma gondii thioredoxin reductase 0.0049 0.0724 0.229
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0024 0.0153 0.0217
Entamoeba histolytica fatty acid elongase, putative 0.0043 0.0582 0.4744
Toxoplasma gondii exonuclease III APE 0.0019 0.0057 0.0179
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.2427 0.3441
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0057 0.0454
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0057 0.0057
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.2145 0.3041
Trypanosoma brucei trypanothione reductase 0.0049 0.0724 0.229
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0512 0.1618
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.024 0.0758
Toxoplasma gondii type I fatty acid synthase, putative 0.0024 0.0153 0.0484
Entamoeba histolytica recQ family helicase, putative 0.0032 0.0348 0.2629
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0521 0.1646
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.0494 0.1562
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.003 0.0287 0.0907
Plasmodium vivax glutathione reductase, putative 0.0049 0.0724 0.1027
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0039 0.0494 0.1562
Leishmania major DNA polymerase kappa, putative 0.004 0.0521 0.1646
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0264 0.2114
Echinococcus granulosus ATP dependent DNA helicase Q5 0.003 0.0287 0.0907
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0521 0.4168
Mycobacterium tuberculosis Probable reductase 0.0111 0.2145 0.3041
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.2145 0.3041
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.1163 0.1163
Mycobacterium leprae Polyketide synthase Pks13 0.0024 0.0153 0.0254
Loa Loa (eye worm) hypothetical protein 0.0457 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0521 0.1646
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0024 0.0153 0.0217
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0079 0.1413 0.2003
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0724 0.229
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0057 0.109
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0328 0.7053 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0024 0.0153 0.0484
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.004 0.052 0.0737
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.1163 0.3678
Mycobacterium leprae Probable polyketide synthase Pks1 0.0024 0.0153 0.0254
Plasmodium falciparum glutathione reductase 0.0049 0.0724 0.1027
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0521 0.1646
Loa Loa (eye worm) hypothetical protein 0.0079 0.1413 0.1364
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0024 0.0153 0.0217
Mycobacterium ulcerans sugar phosphate isomerases/epimerases 0.0021 0.0088 0.0125
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.2427 0.3441
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.003 0.0287 0.0287
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0057 0.0179
Leishmania major DNA polymerase eta, putative 0.0066 0.1118 0.3534
Onchocerca volvulus 0.0457 1 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.1163 0.3678
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0057 0.0179
Trypanosoma brucei DNA polymerase eta, putative 0.0066 0.1118 0.3534
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0521 0.4168
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0521 0.1646
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0521 0.0467
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0531 0.0447
Loa Loa (eye worm) RecQ helicase 0.0042 0.0581 0.0527
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0328 0.7053 1
Schistosoma mansoni ap endonuclease 0.0019 0.0057 0.0179
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0601 0.4811
Loa Loa (eye worm) hypothetical protein 0.003 0.0287 0.0232
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0024 0.0153 0.0217
Mycobacterium ulcerans polyketide synthase MbtC 0.0024 0.0153 0.0217
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0521 0.1646
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.0153 0.0217
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0057 0.008
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0521 0.1646
Onchocerca volvulus 0.0032 0.0334 0.0247
Brugia malayi ImpB/MucB/SamB family protein 0.0066 0.1118 0.1118
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.2145 0.3041
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0057 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0153 0.0097
Giardia lamblia Sgs1 DNA helicase, putative 0.003 0.0287 0.5511
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0724 0.1027
Loa Loa (eye worm) ATP-dependent DNA helicase 0.003 0.0287 0.0232
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.003 0.0287 0.0287
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0153 0.0217
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0521 0.0738
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0057 0.0454
Loa Loa (eye worm) hypothetical protein 0.0021 0.0088 0.0032
Brugia malayi chromobox protein homolog 3 0.004 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0028 0.0252 0.0196
Echinococcus multilocularis bloom syndrome protein 0.0042 0.0581 0.1836
Trypanosoma brucei unspecified product 0.004 0.0521 0.1646
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.1163 0.3678
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0156 0.3163 1
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0156 0.3163 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0153 0.0217
Loa Loa (eye worm) hypothetical protein 0.004 0.0531 0.0477
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0024 0.0153 0.0217
Echinococcus granulosus chromobox protein 1 0.0072 0.1249 0.395
Entamoeba histolytica fatty acid elongase, putative 0.0043 0.0582 0.4744
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.1249 0.1199
Onchocerca volvulus Fatty acid synthase homolog 0.0024 0.0153 0.0065
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0521 0.1646
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0521 0.1646
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0521 0.1646
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0079 0.1413 0.1413
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0032 0.0348 0.1099
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0156 0.3163 0.4485
Mycobacterium ulcerans polyketide synthase 0.0024 0.0153 0.0217
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.2427 0.3441
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0057 0.008
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0024 0.0153 0.0254
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0153 0.0254
Trypanosoma cruzi DNA polymerase eta, putative 0.0066 0.1118 0.3534
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.2145 0.3041
Echinococcus multilocularis chromobox protein 1 0.0072 0.1249 0.395
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0079 0.1413 0.2003
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0521 0.1646
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0057 0.008
Loa Loa (eye worm) runx1 0.0057 0.0918 0.0867
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0521 0.1646
Brugia malayi glutathione reductase 0.0049 0.0724 0.0724
Echinococcus multilocularis Protein lozenge 0.0057 0.0918 0.2904
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0521 0.1646
Loa Loa (eye worm) hypothetical protein 0.0032 0.0334 0.0278
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.024 0.0758
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0961 0.3038
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0153 0.0217
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0057 0.0179
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0531 0.4254
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0521 0.1646
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.0153 0.0217
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0024 0.0153 0.0217
Plasmodium falciparum thioredoxin reductase 0.0049 0.0724 0.1027
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0024 0.0153 0.0254
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1249 1
Brugia malayi hypothetical protein 0.0126 0.247 0.247
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0961 0.1362
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0521 0.1646
Brugia malayi Bloom's syndrome protein homolog 0.0042 0.0581 0.0581
Trypanosoma brucei unspecified product 0.0027 0.024 0.0758
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0521 0.1646
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.003 0.0287 0.0907
Brugia malayi Thioredoxin reductase 0.0049 0.0724 0.0724
Chlamydia trachomatis endonuclease IV 0.0079 0.1413 0.2003

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 30.4 mg kg-1 Agonist activity was evaluated by the inhibition of the pentylenetetrazole (PTZ) induced convulsions after peroral administration ChEMBL. 2842502
Ki (binding) = 0.92 nM Binding affinity against benzodiazepine (BZ) receptor by displacing [3H]-diazepam in cerebral cortex of Wistar rats ChEMBL. 2842502

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.