Detailed information for compound 70897

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.94 | Formula: C9H16CuN6S2++
  • H donors: 2 H acceptors: 0 LogP: 1.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC1=N[N+]2=CC(=[N+]3[Cu]2(S1)SC(=N3)NCC)C
  • InChi: 1S/C9H18N6S2.Cu/c1-4-10-8(16)14-12-6-7(3)13-15-9(17)11-5-2;/h6H,4-5H2,1-3H3,(H2,10,14,16)(H2,11,15,17);/q;+4/p-2/b12-6+,13-7+;
  • InChiKey: SKGAPDKVEMLZTN-FSRDMIDLSA-L  

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
Loa Loa (eye worm) hypothetical protein 0.003 0.0252 0.0196
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0084 0.1413 0.1413
Leishmania major DNA polymerase eta, putative 0.0041 0.0494 0.1562
Toxoplasma gondii type I fatty acid synthase, putative 0.0025 0.0153 0.0484
Loa Loa (eye worm) hypothetical protein 0.0486 1 1
Mycobacterium ulcerans hypothetical protein 0.0022 0.0088 0.0125
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0057 0.008
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0072 0.1163 0.3678
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0025 0.0153 0.0217
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0031 0.0287 0.0907
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0025 0.0153 0.0153
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0031 0.0287 0.0907
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0166 0.3163 1
Brugia malayi Thioredoxin reductase 0.0052 0.0724 0.0724
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0118 0.2145 0.3041
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0166 0.3163 0.4485
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Trypanosoma cruzi DNA polymerase eta, putative 0.007 0.1118 0.3534
Mycobacterium ulcerans polyketide synthase 0.0025 0.0153 0.0217
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.087 0.0818
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0025 0.0153 0.0484
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.1163 0.3678
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0531 0.0447
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0025 0.0153 0.0217
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0961 0.3038
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.0521 0.4168
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0153 0.0254
Mycobacterium ulcerans fatty acid synthase Fas 0.0025 0.0153 0.0217
Toxoplasma gondii type I fatty acid synthase, putative 0.0025 0.0153 0.0484
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0034 0.0348 0.1099
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0348 0.7053 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0025 0.0153 0.0254
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 1 KasA (beta-ketoacyl-ACP synthase) (KAS I) 0.0141 0.2626 0.3723
Plasmodium falciparum glutathione reductase 0.0052 0.0724 0.1027
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.1249 0.1199
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0601 0.4811
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0512 0.1618
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0601 0.0517
Onchocerca volvulus 0.0034 0.0334 0.0247
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.0961 0.1362
Plasmodium vivax glutathione reductase, putative 0.0052 0.0724 0.1027
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0072 0.1163 0.3678
Loa Loa (eye worm) glutathione reductase 0.0052 0.0724 0.0671
Trichomonas vaginalis DNA helicase recq1, putative 0.0045 0.0581 0.4649
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0025 0.0153 0.0217
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Toxoplasma gondii endonuclease IV APN 0.0084 0.1413 0.4467
Giardia lamblia DINP protein human, muc B family 0.0042 0.0521 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0025 0.0153 0.0217
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.1163 0.3678
Entamoeba histolytica fatty acid elongase, putative 0.0045 0.0582 0.4744
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0494 0.1562
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0264 0.2114
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0166 0.3163 0.3124
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.1163 0.3678
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0025 0.0153 0.0254
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0042 0.0521 0.0738
Schistosoma mansoni DNA polymerase eta 0.007 0.1118 0.3534
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0057 0.008
Brugia malayi Bloom's syndrome protein homolog 0.0045 0.0581 0.0581
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0025 0.0153 0.0254
Echinococcus multilocularis chromobox protein 1 0.0076 0.1249 0.395
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0057 0.109
Schistosoma mansoni lozenge 0.0061 0.0918 0.2904
Chlamydia trachomatis endonuclease IV 0.0084 0.1413 0.2003
Loa Loa (eye worm) RecQ helicase 0.0045 0.0581 0.0527
Schistosoma mansoni DNA helicase recq1 0.0031 0.0287 0.0907
Leishmania major DNA polymerase eta, putative 0.007 0.1118 0.3534
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0031 0.0287 0.0407
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0521 0.0521
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0153 0.0217
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0166 0.3163 0.4485
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0025 0.0153 0.0217
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0027 0.0191 0.0271
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.024 0.0758
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0034 0.0348 0.1099
Schistosoma mansoni chromobox protein 0.0076 0.1249 0.395
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0961 0.3038
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0026 0.0178 0.0562
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0025 0.0153 0.0217
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0166 0.3163 1
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.0724 0.0671
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0118 0.2145 0.3041
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0166 0.3163 0.3163
Brugia malayi chromobox protein homolog 3 0.0043 0.0531 0.0531
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.0521 0.4192
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0348 0.7053 1
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0166 0.3163 0.4485
Mycobacterium ulcerans polyketide synthase Pks9 0.0025 0.0153 0.0217
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0042 0.052 0.0737
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0264 0.2114
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0521 0.1646
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0084 0.1413 0.2003
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0153 0.0217
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 2 KasB (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0141 0.2626 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0961 0.1362
Mycobacterium tuberculosis Probable oxidoreductase 0.0131 0.2427 0.3441
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0072 0.1163 0.1163
Entamoeba histolytica fatty acid elongase, putative 0.0045 0.0582 0.4744
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Brugia malayi ImpB/MucB/SamB family protein 0.007 0.1118 0.1118
Brugia malayi glutathione reductase 0.0052 0.0724 0.0724
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0057 0.008
Loa Loa (eye worm) hypothetical protein 0.0084 0.1413 0.1364
Loa Loa (eye worm) hypothetical protein 0.0043 0.0531 0.0477
Mycobacterium ulcerans endonuclease IV 0.0084 0.1413 0.2003
Onchocerca volvulus Fatty acid synthase homolog 0.0025 0.0153 0.0065
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0961 0.3038
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.024 0.0758
Leishmania major DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Echinococcus multilocularis chromobox protein 1 0.0076 0.1249 0.395
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.0521 0.1646
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0031 0.0287 0.0907
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0521 0.1646
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.0521 0.4168
Brugia malayi Heterochromatin protein 1 0.0076 0.1249 0.1249
Trichomonas vaginalis DNA helicase recq, putative 0.0034 0.0348 0.2784
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0118 0.2145 0.8103
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0031 0.0287 0.0232
Mycobacterium ulcerans epimerase 0.0022 0.0088 0.0125
Mycobacterium tuberculosis Probable reductase 0.0118 0.2145 0.3041
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Loa Loa (eye worm) hypothetical protein 0.0031 0.0287 0.0232
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0166 0.3163 0.4485
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0153 0.0217
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0166 0.3163 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.0521 0.0467
Echinococcus multilocularis Protein lozenge 0.0061 0.0918 0.2904
Trypanosoma brucei unspecified product 0.0029 0.024 0.0758
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0057 0.0179
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0531 0.4254
Trypanosoma brucei trypanothione reductase 0.0052 0.0724 0.229
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0118 0.2145 0.3041
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0348 0.7053 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0025 0.0153 0.0217
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0057 0.0454
Onchocerca volvulus 0.0486 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0961 0.0961
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0025 0.0153 0.0217
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0041 0.0494 0.1562
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0072 0.1163 0.3678
Echinococcus granulosus chromobox protein 1 0.0076 0.1249 0.395
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.0521 0.0738
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0131 0.2427 0.9215
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.0521 0.1646
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0025 0.0153 0.0254
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0084 0.1413 0.5219
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.0521 0.1646
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0166 0.3163 0.4485
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.0724 0.1027
Echinococcus multilocularis dna polymerase eta 0.007 0.1118 0.3534
Loa Loa (eye worm) hypothetical protein 0.0022 0.0088 0.0032
Mycobacterium ulcerans polyketide synthase 0.0025 0.0153 0.0217
Brugia malayi hypothetical protein 0.0133 0.247 0.247
Leishmania major trypanothione reductase 0.0052 0.0724 0.229
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0025 0.0153 0.0217
Entamoeba histolytica fatty acid elongase, putative 0.0045 0.0582 0.4744
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Mycobacterium ulcerans polyketide synthase Pks13 0.0025 0.0153 0.0217
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0166 0.3163 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0348 0.7053 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0153 0.0217
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0521 0.1646
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0057 0.0179
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0072 0.1163 0.1113
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0512 0.1618
Schistosoma mansoni blooms syndrome DNA helicase 0.0029 0.0239 0.0755
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0031 0.0287 0.0287
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0072 0.1163 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.0724 0.229
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0348 0.7053 1
Onchocerca volvulus 0.0025 0.0153 0.0065
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0521 0.1646
Entamoeba histolytica fatty acid elongase, putative 0.0045 0.0582 0.4744
Trichomonas vaginalis chromobox protein, putative 0.0076 0.1249 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0029 0.024 0.0758
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0166 0.3163 0.4485
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0088 0.0125
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0025 0.0153 0.0217
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0084 0.1413 0.2003
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0153 0.0217
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0072 0.1163 0.3678
Loa Loa (eye worm) hypothetical protein 0.0025 0.0153 0.0097
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0031 0.0287 0.0907
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.0961 0.3038
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0131 0.2427 0.3441
Entamoeba histolytica fatty acid elongase, putative 0.0045 0.0582 0.4744
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0057 0.0454
Loa Loa (eye worm) runx1 0.0061 0.0918 0.0867
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0531 0.4254
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.0724 0.1027
Echinococcus granulosus dna polymerase kappa 0.0042 0.0521 0.1646
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Mycobacterium ulcerans sugar phosphate isomerases/epimerases 0.0022 0.0088 0.0125
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0153 0.0217
Echinococcus multilocularis bloom syndrome protein 0.0045 0.0581 0.1836
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0724 0.229
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0521 0.0738
Schistosoma mansoni DNA helicase recq5 0.0031 0.0287 0.0907
Loa Loa (eye worm) hypothetical protein 0.0025 0.0153 0.0097
Entamoeba histolytica recQ family helicase, putative 0.0034 0.0348 0.2629
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0601 0.4811
Mycobacterium ulcerans polyketide synthase MbtC 0.0025 0.0153 0.0217
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 1 KasA (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0141 0.2626 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0153 0.0217
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0025 0.0153 0.0217
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0153 0.0217
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0153 0.0153
Giardia lamblia Sgs1 DNA helicase, putative 0.0031 0.0287 0.5511
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0025 0.0153 0.0217
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0031 0.0287 0.0907
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0057 0.0057
Echinococcus granulosus dna polymerase eta 0.007 0.1118 0.3534
Loa Loa (eye worm) hypothetical protein 0.007 0.1118 0.1067
Echinococcus granulosus bloom syndrome protein 0.0045 0.0581 0.1836
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0031 0.0287 0.0907
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0521 0.1646
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.0521 0.1646
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0166 0.3163 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0057 0.0179
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0057 0.008
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0025 0.0153 0.0254
Loa Loa (eye worm) hypothetical protein 0.0034 0.0334 0.0278
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0961 0.1362
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0057 0.0179
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0025 0.0153 0.0254
Loa Loa (eye worm) hypothetical protein 0.0486 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.007 0.1118 0.3534
Trichomonas vaginalis DNA helicase recq, putative 0.0045 0.0581 0.4649
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0034 0.0348 0.1099
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0153 0.0217
Trypanosoma brucei unspecified product 0.0042 0.0521 0.1646
Brugia malayi Hypothetical 29.7 kDa protein C05D11.5 in chromosome III 0.0022 0.0088 0.0088
Schistosoma mansoni ap endonuclease 0.0021 0.0057 0.0179
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0057 0.0179
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0025 0.0153 0.0217
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0031 0.0287 0.0287
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0057 0.0179
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 2 KasB (beta-ketoacyl-ACP synthase) (KAS I) 0.0141 0.2626 0.3723
Schistosoma mansoni ap endonuclease 0.0021 0.0057 0.0179
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0153 0.0217
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0348 0.7053 1
Trypanosoma brucei unspecified product 0.0029 0.024 0.0758
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0348 0.7053 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0025 0.0153 0.0217
Toxoplasma gondii exonuclease III APE 0.0021 0.0057 0.0179
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0084 0.1413 0.2003
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0131 0.2427 0.3441
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0153 0.0254
Loa Loa (eye worm) hypothetical protein 0.0348 0.7053 0.7037
Echinococcus granulosus chromobox protein 1 0.0076 0.1249 0.395
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0057 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.0521 0.1646
Trichomonas vaginalis chromobox protein, putative 0.0076 0.1249 1
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0166 0.3163 1
Mycobacterium leprae Polyketide synthase Pks13 0.0025 0.0153 0.0254
Plasmodium falciparum thioredoxin reductase 0.0052 0.0724 0.1027
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0057 0.008
Mycobacterium tuberculosis Probable dehydrogenase 0.0118 0.2145 0.3041
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0118 0.2145 0.3041
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.0724 0.229
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0348 0.7053 1
Toxoplasma gondii thioredoxin reductase 0.0052 0.0724 0.229
Schistosoma mansoni chromobox protein 0.0076 0.1249 0.395
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0166 0.3163 1
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0521 0.0738
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0166 0.3163 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0025 0.0153 0.0484

Activities

Activity type Activity value Assay description Source Reference
Injected dose (functional) = 1.2 % Myocardial levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 1.7 % Myocardial levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 1.7 % Pulmonary levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 1.8 % Brain levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 1.9 % Myocardial levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 2 % Brain levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 2.2 % Kidney levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 2.7 % Brain levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 3 % Kidney levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 4.2 % Pulmonary levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 4.6 % Kidney levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 5.2 % Blood levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 6.7 % Blood levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 7.4 % Pulmonary levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 8.5 % Blood levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 14.5 % Liver levels of tracer copper in rats 1 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 18.9 % Liver levels of tracer copper in rats 5 min after injection into the femoral vein ChEMBL. 2342070
Injected dose (functional) = 19.1 % Liver levels of tracer copper in rats 2 hr after injection into the femoral vein ChEMBL. 2342070
logP (ADMET) = 2.76 Partition coefficient (logP) ChEMBL. 2342070

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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