Detailed information for compound 1007328

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 312.409 | Formula: C16H12N2OS2
  • H donors: 1 H acceptors: 1 LogP: 3.86 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1S/C(=C\c2ccccc2c2ccccc2)/C(=O)N1N
  • InChi: 1S/C16H12N2OS2/c17-18-15(19)14(21-16(18)20)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,17H2/b14-10-
  • InChiKey: JQJVMGHZLZXVOS-UVTDQMKNSA-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
Mus musculus N-acetyltransferase 2 (arylamine N-acetyltransferase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) Get druggable targets OG5_131280 All targets in OG5_131280
Mycobacterium ulcerans arylamine N-acetyltransferase Nat Get druggable targets OG5_131280 All targets in OG5_131280
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 0.0093 0.029 0.0422
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0218 0.0218
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0137 0.0491 0.0491
Brugia malayi AMP-binding enzyme family protein 0.0127 0.0446 0.0643
Schistosoma mansoni Smad4 0.0105 0.0348 0.1126
Loa Loa (eye worm) hypothetical protein 0.0327 0.1353 0.1967
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0475 0.2026 0.2941
Schistosoma mansoni ap endonuclease 0.004 0.0052 0.0116
Echinococcus multilocularis smad 0.0105 0.0348 0.0348
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0053 0.0113 0.0867
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0053 0.0113 0.0867
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0049 0.0092 0.0092
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0037 0.0039 0.0284
Loa Loa (eye worm) MH2 domain-containing protein 0.0105 0.0348 0.0506
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0037 0.0039 0.0634
Leishmania major cathepsin L-like protease 0.0073 0.0203 0.1583
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0203 0.1583
Echinococcus granulosus fetal alzheimer antigen falz 0.0049 0.0092 0.0092
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0078 0.0224 0.0224
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.015 0.0552 0.0552
Schistosoma mansoni Smad4 0.0047 0.0084 0.0226
Echinococcus granulosus TGF beta signal transducer SmadC 0.0105 0.0348 0.0348
Brugia malayi MH1 domain containing protein 0.0058 0.0134 0.0191
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Trypanosoma brucei trypanothione reductase 0.0154 0.057 0.449
Mycobacterium tuberculosis Probable oxidoreductase 0.0391 0.1643 0.491
Trichomonas vaginalis antibiotic synthetase, putative 0.0037 0.0039 0.0174
Plasmodium falciparum thioredoxin reductase 0.0053 0.0113 0.193
Schistosoma mansoni hypothetical protein 0.015 0.0552 0.1823
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0352 0.1465 0.4373
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0052 0.007
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0039 0.0048 0.0065
Schistosoma mansoni lamin 0.0059 0.0139 0.0414
Trypanosoma cruzi major cysteine proteinase, putative 0.0058 0.0132 0.1019
Leishmania major cathepsin L-like protease 0.0073 0.0203 0.1583
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0052 0.0038
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0052 0.0383
Entamoeba histolytica hypothetical protein 0.0077 0.0218 0.486
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0003 0.0003
Loa Loa (eye worm) PHD-finger family protein 0.0045 0.0073 0.0107
Schistosoma mansoni methyl-cpg binding protein mbd 0.0037 0.0038 0.007
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0127 0.0446 0.1235
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0039 0.0052
Schistosoma mansoni hypothetical protein 0.0541 0.2325 0.7866
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0037 0.0039 0.0284
Schistosoma mansoni hypothetical protein 0.0045 0.0073 0.019
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0018 0.0252
Loa Loa (eye worm) MH2 domain-containing protein 0.0047 0.0084 0.0122
Brugia malayi Thioredoxin reductase 0.0154 0.057 0.0823
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0347 0.1443 0.2097
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Leishmania major 4-coumarate:coa ligase-like protein 0.0127 0.0446 0.3507
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.015 0.0552 0.0798
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0307 0.1265 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.013 0.0458 0.0458
Echinococcus granulosus mothers against decapentaplegic 6 0.0047 0.0084 0.0084
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0053 0.0113 0.0867
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0192 0.074 0.1071
Trypanosoma cruzi cruzipain precursor, putative 0.0073 0.0203 0.1583
Brugia malayi Importin beta-1 subunit 0.0032 0.0018 0.0021
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0039 0.0048 0.0065
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0053 0.0113 0.0113
Trichomonas vaginalis glutaminase, putative 0.0292 0.1195 0.5789
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0053 0.0113 0.0223
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0037 0.0039 0.0071
Brugia malayi AMP-binding enzyme family protein 0.0037 0.0039 0.0052
Entamoeba histolytica hypothetical protein 0.0077 0.0218 0.486
Loa Loa (eye worm) MH1 domain-containing protein 0.0047 0.0084 0.0122
Schistosoma mansoni hypothetical protein 0.015 0.0552 0.1823
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0037 0.0038 0.0038
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0113 0.0867
Onchocerca volvulus 0.0473 0.2014 0.9763
Schistosoma mansoni intermediate filament proteins 0.0059 0.0139 0.0414
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0154 0.057 0.1671
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0352 0.1465 0.4373
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.015 0.0552 0.0552
Giardia lamblia NADH oxidase lateral transfer candidate 0.0053 0.0113 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0037 0.0039 0.0284
Loa Loa (eye worm) hypothetical protein 0.0095 0.03 0.0436
Echinococcus granulosus microtubule associated protein 2 0.0679 0.295 0.295
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0047 0.0084 0.022
Trypanosoma cruzi ISWI complex protein 0.0033 0.0021 0.0139
Brugia malayi hypothetical protein 0.0054 0.0115 0.0162
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0146 0.053 0.4177
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0037 0.0039 0.0039
Echinococcus granulosus Smad4 0.0105 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0095 0.03 0.0436
Plasmodium vivax glutathione reductase, putative 0.0154 0.057 1
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0003 0.0005
Schistosoma mansoni hypothetical protein 0.015 0.0552 0.1823
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0127 0.0446 0.1235
Echinococcus multilocularis zinc finger protein 0.0042 0.0063 0.0063
Leishmania major 4-coumarate:coa ligase-like protein 0.0127 0.0446 0.3507
Echinococcus multilocularis microtubule associated protein 2 0.0679 0.295 0.295
Loa Loa (eye worm) hypothetical protein 0.0088 0.0271 0.0394
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0053 0.0113 0.0867
Leishmania major mitochondrial DNA polymerase beta 0.0307 0.1265 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0113 0.0867
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0425 0.1796 0.2611
Brugia malayi MH2 domain containing protein 0.0047 0.0084 0.0117
Echinococcus multilocularis musashi 0.0059 0.0139 0.0139
Echinococcus multilocularis mothers against decapentaplegic 2 0.0047 0.0084 0.0084
Schistosoma mansoni thyroid hormone receptor 0.0158 0.0587 0.1942
Loa Loa (eye worm) hypothetical protein 0.0127 0.0446 0.0648
Schistosoma mansoni zinc finger protein 0.0033 0.0021 0.0011
Loa Loa (eye worm) hypothetical protein 0.0037 0.0039 0.0057
Schistosoma mansoni bromodomain containing protein 0.0137 0.0493 0.1621
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0039 0.0071
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.074 0.074
Loa Loa (eye worm) hypothetical protein 0.0058 0.0134 0.0195
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.009 0.0277 0.0787
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0127 0.0446 0.2533
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0098 0.0314 0.1012
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0037 0.0039 0.0071
Schistosoma mansoni microtubule-associated protein tau 0.0679 0.295 1
Echinococcus granulosus geminin 0.0541 0.2325 0.2325
Plasmodium falciparum importin beta, putative 0.0032 0.0018 0.0252
Loa Loa (eye worm) hypothetical protein 0.0127 0.0446 0.0648
Mycobacterium tuberculosis Conserved hypothetical protein 0.0162 0.0605 0.1776
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.074 0.2462
Schistosoma mansoni hypothetical protein 0.0137 0.0491 0.1615
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0391 0.1643 0.491
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0053 0.0113 0.0867
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0391 0.1643 0.491
Echinococcus multilocularis mothers against decapentaplegic 5 0.0105 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0475 0.2026 0.2945
Plasmodium vivax thioredoxin reductase, putative 0.0154 0.057 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0307 0.1265 1
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0203 0.1583
Loa Loa (eye worm) hypothetical protein 0.0473 0.2014 0.2928
Loa Loa (eye worm) glutathione reductase 0.0154 0.057 0.0828
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0018 0.0113
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0115 0.1969
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0037 0.0039 0.0284
Schistosoma mansoni hypothetical protein 0.015 0.0552 0.1823
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0052 0.0108
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0053 0.0113 0.0113
Brugia malayi mothers against decapentaplegic homolog 3 0.0047 0.0084 0.0117
Brugia malayi hypothetical protein 0.0035 0.0028 0.0036
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0037 0.0039 0.0284
Echinococcus granulosus intermediate filament protein 0.0059 0.0139 0.0139
Echinococcus granulosus mothers against decapentaplegic 2 0.0047 0.0084 0.0084
Brugia malayi intermediate filament protein 0.0059 0.0139 0.0197
Schistosoma mansoni smad1 5 8 and 0.0105 0.0348 0.1126
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0052 0.4419
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0066 0.05
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0147 0.044
Entamoeba histolytica acyl-CoA synthetase, putative 0.0127 0.0446 1
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0037 0.0039 0.0284
Mycobacterium ulcerans acyl-CoA synthetase 0.0127 0.0446 0.1235
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.074 0.074
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0059 0.0139 0.0202
Loa Loa (eye worm) hypothetical protein 0.0059 0.0139 0.0202
Mycobacterium ulcerans acyl-CoA synthetase 0.0127 0.0446 0.1235
Mycobacterium ulcerans acyl-CoA synthetase 0.0127 0.0446 0.1235
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.053 0.4177
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0113 0.0867
Plasmodium falciparum glutathione reductase 0.0154 0.057 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0109 0.084
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0127 0.0446 0.1297
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0763 0.3331 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0115 0.0167
Loa Loa (eye worm) hypothetical protein 0.0095 0.03 0.0436
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0053 0.0113 1
Brugia malayi cytoplasmic intermediate filament protein 0.0032 0.0014 0.0016
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0053 0.0113 0.0223
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0218 0.0684
Schistosoma mansoni hypothetical protein 0.0033 0.0021 0.0011
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0052 0.0853
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.015 0.0552 0.0552
Plasmodium falciparum acyl-CoA synthetase 0.0095 0.03 0.5242
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0307 0.1265 1
Loa Loa (eye worm) nuclear factor I 0.0058 0.0134 0.0195
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0052 0.0853
Loa Loa (eye worm) MH2 domain-containing protein 0.1546 0.688 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0095 0.03 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0105 0.0348 0.1126
Loa Loa (eye worm) glutaminase 0.0292 0.1195 0.1737
Schistosoma mansoni hypothetical protein 0.0541 0.2325 0.7866
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0352 0.1465 0.4373
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0037 0.0039 0.0811
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0067 0.0174 0.1354
Loa Loa (eye worm) hypothetical protein 0.0058 0.0134 0.0195
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0037 0.0039 0.0071
Entamoeba histolytica hypothetical protein 0.0077 0.0218 0.486
Loa Loa (eye worm) Smad1 0.0105 0.0348 0.0506
Brugia malayi MH1 domain containing protein 0.0105 0.0348 0.0501
Loa Loa (eye worm) hypothetical protein 0.0153 0.0566 0.0823
Entamoeba histolytica acyl-CoA synthetase, putative 0.0127 0.0446 1
Plasmodium vivax importin-beta 2, putative 0.0032 0.0018 0.0252
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.074 0.074
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0037 0.0039 0.0071
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0391 0.1643 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0475 0.2026 0.2941
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0018 0.0113
Loa Loa (eye worm) thioredoxin reductase 0.0154 0.057 0.0828
Brugia malayi Bromodomain containing protein 0.0163 0.0608 0.088
Brugia malayi glutathione reductase 0.0154 0.057 0.0823
Brugia malayi MH2 domain containing protein 0.0105 0.0348 0.0501
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0037 0.0039 0.0039
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0147 0.044
Leishmania major acetyl-CoA synthetase, putative 0.0037 0.0039 0.0284
Echinococcus granulosus snurportin 1 0.0347 0.1443 0.1443
Echinococcus granulosus flap endonuclease 1 0.0029 0.0003 0.0003
Echinococcus granulosus importin subunit beta 1 0.0032 0.0018 0.0018
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0039 0.0071
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0037 0.0039 0.0284
Loa Loa (eye worm) oxidoreductase 0.0037 0.0039 0.0057
Treponema pallidum NADH oxidase 0.0053 0.0113 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0105 0.0348 0.0506
Schistosoma mansoni lamin 0.0059 0.0139 0.0414
Toxoplasma gondii exonuclease III APE 0.004 0.0052 0.0853
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0053 0.0113 0.0867
Loa Loa (eye worm) transcription factor SMAD2 0.1546 0.688 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.009 0.0277 0.0787
Schistosoma mansoni smad 0.0105 0.0348 0.1126
Schistosoma mansoni hypothetical protein 0.0347 0.1443 0.486
Leishmania major acetyl-CoA synthetase, putative 0.0037 0.0039 0.0284
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0115 0.0884
Echinococcus multilocularis thyroid hormone receptor alpha 0.0158 0.0587 0.0587
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0037 0.0039 0.0071
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0147 0.2529
Schistosoma mansoni smad1 5 8 and 0.0105 0.0348 0.1126
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0052 0.0052
Mycobacterium ulcerans hypothetical protein 0.0162 0.0605 0.1718
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0763 0.3331 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0084 0.0122
Onchocerca volvulus 0.0061 0.0147 0.053
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0113 0.0867
Plasmodium falciparum glutathione reductase 0.0053 0.0113 0.193
Schistosoma mansoni smad1 5 8 and 0.0105 0.0348 0.1126
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0095 0.03 0.0858
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0113 0.0867
Entamoeba histolytica hypothetical protein 0.0077 0.0218 0.486
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Brugia malayi latrophilin 2 splice variant baaae 0.0325 0.1344 0.1949
Trypanosoma cruzi ISWI complex protein 0.0033 0.0021 0.0139
Brugia malayi Smad1 0.0105 0.0348 0.0501
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0352 0.1465 0.889
Trichomonas vaginalis glutathione reductase, putative 0.0053 0.0113 0.0531
Mycobacterium tuberculosis Probable reductase 0.0352 0.1465 0.4373
Plasmodium falciparum thioredoxin reductase 0.0154 0.057 1
Schistosoma mansoni zinc finger protein 0.0042 0.0063 0.0155
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0053 0.0113 0.193
Loa Loa (eye worm) bromodomain containing protein 0.0038 0.0044 0.0064
Echinococcus granulosus GPCR family 2 0.015 0.0552 0.0552
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0053 0.0113 0.0159
Brugia malayi Pre-SET motif family protein 0.0061 0.0147 0.0208
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0115 0.0884
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0052 0.1092
Onchocerca volvulus 0.0483 0.2062 1
Plasmodium vivax acetyl-CoA synthetase, putative 0.0037 0.0039 0.0634
Loa Loa (eye worm) latrophilin receptor protein 2 0.015 0.0552 0.0803
Toxoplasma gondii thioredoxin reductase 0.0154 0.057 1
Brugia malayi PHD-finger family protein 0.0054 0.0116 0.0163
Leishmania major hypothetical protein, conserved 0.0033 0.0021 0.0139
Leishmania major trypanothione reductase 0.0154 0.057 0.449
Schistosoma mansoni hypothetical protein 0.0077 0.0218 0.0684
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0192 0.074 0.1075
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0018 0.0018
Echinococcus granulosus methyl CpG binding domain protein 2 0.0037 0.0038 0.0038
Trichomonas vaginalis set domain proteins, putative 0.0483 0.2062 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0037 0.0039 0.0634
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0127 0.0446 0.1235
Toxoplasma gondii hypothetical protein 0.005 0.0095 0.1622
Onchocerca volvulus 0.0327 0.1353 0.6494
Toxoplasma gondii propionate-CoA ligase 0.0037 0.0039 0.0634
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0147 0.0147
Schistosoma mansoni methyl-cpg binding protein mbd 0.0037 0.0038 0.007
Echinococcus granulosus lamin 0.0059 0.0139 0.0139
Leishmania major hypothetical protein, conserved 0.0054 0.0115 0.0884
Schistosoma mansoni thyroid hormone receptor 0.0158 0.0587 0.1942
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0115 0.0884
Loa Loa (eye worm) hypothetical protein 0.0095 0.03 0.0436
Echinococcus multilocularis thioredoxin glutathione reductase 0.0154 0.057 0.057
Loa Loa (eye worm) hypothetical protein 0.0095 0.03 0.0436
Echinococcus multilocularis Smad4 0.0105 0.0348 0.0348
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0053 0.0113 0.193
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.053 0.4177
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0115 0.1969
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0037 0.0039 0.0052
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0052 0.0383
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0095 0.03 0.0793
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0052 0.0383
Trypanosoma cruzi trypanothione reductase, putative 0.0154 0.057 0.449
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.013 0.0458 0.0458
Trichomonas vaginalis antibiotic synthetase, putative 0.0037 0.0039 0.0174
Echinococcus multilocularis lamin 0.0059 0.0139 0.0139
Plasmodium vivax acyl-CoA synthetase, putative 0.0095 0.03 0.5242
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.009 0.0277 0.0787
Schistosoma mansoni glutaminase 0.0292 0.1195 0.4015
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0352 0.1465 0.4373
Entamoeba histolytica acyl-coA synthetase, putative 0.0127 0.0446 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0127 0.0446 0.2533
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0053 0.0113 0.0324
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0053 0.0113 0.0223
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0053 0.0113 0.0867
Echinococcus granulosus lamin dm0 0.0059 0.0139 0.0139
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0052 0.0052
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0037 0.0039 0.0057
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.009 0.0277 0.0787
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0098 0.0314 0.1012
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0052 0.0383
Echinococcus multilocularis GPCR, family 2 0.015 0.0552 0.0552
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0037 0.0039 0.0634
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0137 0.0491 0.0491
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0037 0.0039 0.0057
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0053 0.0113 0.193
Leishmania major 4-coumarate:coa ligase-like protein 0.0127 0.0446 0.3507
Toxoplasma gondii NADPH-glutathione reductase 0.0053 0.0113 0.193
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0053 0.0113 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0127 0.0446 0.1235
Echinococcus granulosus zinc finger protein 0.0042 0.0063 0.0063
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0037 0.0039 0.0071
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0475 0.2026 0.2945
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0115 0.1969
Brugia malayi MH1 domain containing protein 0.0058 0.0134 0.0191
Brugia malayi AMP-binding enzyme family protein 0.0037 0.0039 0.0052
Loa Loa (eye worm) hypothetical protein 0.0098 0.0314 0.0457
Brugia malayi RNA, U transporter 1 0.0092 0.0289 0.0416
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0052 0.0235
Echinococcus multilocularis geminin 0.0541 0.2325 0.2325
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0066 0.05
Mycobacterium tuberculosis Probable dehydrogenase 0.0352 0.1465 0.4373
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0053 0.0113 0.0867
Leishmania major cathepsin L-like protease 0.0073 0.0203 0.1583
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0113 0.0867
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0218 0.0218
Brugia malayi AMP-binding enzyme family protein 0.0037 0.0039 0.0052
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0053 0.0113 0.0867
Loa Loa (eye worm) hypothetical protein 0.015 0.0552 0.0803
Loa Loa (eye worm) intermediate filament protein 0.0059 0.0139 0.0202
Brugia malayi hypothetical protein 0.0473 0.2014 0.2924
Brugia malayi Bromodomain containing protein 0.0083 0.0247 0.0355
Loa Loa (eye worm) hypothetical protein 0.0083 0.0248 0.036
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0066 0.05
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Schistosoma mansoni acetyl-CoA synthetase 0.0037 0.0039 0.0074
Schistosoma mansoni smad 0.0047 0.0084 0.0226
Schistosoma mansoni hypothetical protein 0.0325 0.1344 0.4522
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0032 0.0014 0.0021
Brugia malayi MH1 domain containing protein 0.0105 0.0348 0.0501
Schistosoma mansoni ap endonuclease 0.004 0.0052 0.0116
Onchocerca volvulus 0.0127 0.0446 0.2009
Schistosoma mansoni cellular tumor antigen P53 0.0327 0.1353 0.4553
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0066 0.05
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0136 0.0136
Echinococcus granulosus thioredoxin glutathione reductase 0.0154 0.057 0.057
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0037 0.0039 0.0071
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0053 0.0113 0.0292
Trypanosoma brucei ISWI complex protein 0.0033 0.0021 0.0139
Loa Loa (eye worm) glutaminase 2 0.0292 0.1195 0.1737
Brugia malayi Intermediate filament tail domain containing protein 0.0059 0.0139 0.0197
Plasmodium vivax SET domain protein, putative 0.0061 0.0147 0.2529
Brugia malayi AMP-binding enzyme family protein 0.0037 0.0039 0.0052
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Echinococcus multilocularis snurportin 1 0.0347 0.1443 0.1443
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0039 0.0071
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0052 0.0235
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0053 0.0113 0.193
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0078 0.0224 0.0224
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.074 0.2462
Onchocerca volvulus 0.0059 0.0139 0.0493
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0203 0.1583
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0039 0.0071
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0053 0.0113 0.0867
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0115 0.1969
Mycobacterium ulcerans hypothetical protein 0.0127 0.0446 0.1235
Mycobacterium ulcerans glutaminase 0.0292 0.1195 0.3512
Loa Loa (eye worm) hypothetical protein 0.0127 0.0446 0.0648
Brugia malayi AMP-binding enzyme family protein 0.0127 0.0446 0.0643
Echinococcus granulosus mothers against decapentaplegic 5 0.0105 0.0348 0.0348
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0105 0.0348 0.0348
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0098 0.0314 0.0314
Echinococcus multilocularis mothers against decapentaplegic 6 0.0047 0.0084 0.0084
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0127 0.0446 0.1297
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0049 0.0092 0.0254
Brugia malayi MH2 domain containing protein 0.0105 0.0348 0.0501
Onchocerca volvulus 0.0059 0.0139 0.0493
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0052 0.0075
Brugia malayi AMP-binding enzyme family protein 0.0127 0.0446 0.0643
Trichomonas vaginalis mercuric reductase, putative 0.0053 0.0113 0.0531
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.074 0.074
Brugia malayi hypothetical protein 0.0077 0.0218 0.0313
Schistosoma mansoni Smad4 0.0047 0.0084 0.0226
Brugia malayi Latrophilin receptor protein 2 0.015 0.0552 0.0798
Brugia malayi MH2 domain containing protein 0.1546 0.688 1
Loa Loa (eye worm) hypothetical protein 0.0325 0.1344 0.1953
Brugia malayi glutaminase DH11.1 0.0292 0.1195 0.1733
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0203 0.1583
Echinococcus multilocularis lamin dm0 0.0059 0.0139 0.0139
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0113 0.0867
Loa Loa (eye worm) hypothetical protein 0.0032 0.0018 0.0026
Brugia malayi Pre-SET motif family protein 0.0425 0.1796 0.2607
Echinococcus granulosus histone lysine methyltransferase setb 0.0098 0.0314 0.0314
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.015 0.0552 0.0552
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0053 0.0113 0.193
Loa Loa (eye worm) hypothetical protein 0.0037 0.0039 0.0057
Echinococcus granulosus smad 0.0105 0.0348 0.0348
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.074 0.2462
Echinococcus multilocularis tumor protein p63 0.2234 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.3 uM Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method ChEMBL. 19059786

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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