Detailed information for compound 1823094

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.917 | Formula: C24H21ClN6
  • H donors: 4 H acceptors: 0 LogP: 4.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1ccc2c(c1)[nH]c(c2)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N.Cl
  • InChi: 1S/C24H20N6.ClH/c25-23(26)17-7-5-15-9-19(29-21(15)11-17)13-1-2-14(4-3-13)20-10-16-6-8-18(24(27)28)12-22(16)30-20;/h1-12,29-30H,(H3,25,26)(H3,27,28);1H
  • InChiKey: HICCGCZETMTAAY-UHFFFAOYSA-N  

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
Echinococcus multilocularis NADH dehydrogenase 0.011 0.0328 0.0358
Mycobacterium leprae conserved hypothetical protein 0.011 0.0328 0.0271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0051 0.0121
Mycobacterium ulcerans hypothetical protein 0.011 0.0328 0.0303
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0115 0.0331
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0068 0.0118 0.0134
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.011 0.0328 0.0303
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0051 0.0121
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1776 0.8579 1
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0273 0.1136 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.1088 0.5174 0.6559
Mycobacterium ulcerans dehydrogenase 0.0068 0.0118 0.0032
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0093 0.0084
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0167 0.061 0.0667
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.1017 0.4819 0.6101
Schistosoma mansoni methyltransferase-related 0.0328 0.1407 0.4563
Toxoplasma gondii type I fatty acid synthase 0.0167 0.061 0.1047
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0051 0.0036 0.007
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0069 0.0128 0.0558
Mycobacterium ulcerans oxidoreductase 0.0068 0.0118 0.0032
Schistosoma mansoni hypothetical protein 0.0183 0.0688 0.2206
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.1156 0.5508 0.6991
Echinococcus multilocularis snurportin 1 0.0336 0.1446 0.1665
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0167 0.061 0.0667
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0093 0.0259
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0266 0.11 0.13
Trypanosoma cruzi acyl transferase-like protein 0.0069 0.0124 0.0053
Mycobacterium ulcerans polyketide synthase Pks9 0.072 0.3348 0.4201
Mycobacterium tuberculosis Probable thioesterase TesA 0.0907 0.4275 0.5398
Schistosoma mansoni hypothetical protein 0.0663 0.3067 1
Brugia malayi mbt repeat family protein 0.0108 0.0317 0.0267
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0068 0.0118 0.0508
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.011 0.0328 0.0303
Mycobacterium ulcerans acyl-CoA synthetase 0.011 0.0328 0.0303
Loa Loa (eye worm) hypothetical protein 0.1828 0.8838 1
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0068 0.0118 0.0032
Mycobacterium tuberculosis Probable oxidoreductase 0.0068 0.0118 0.0032
Brugia malayi mbt repeat family protein 0.0108 0.0317 0.0267
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.0069 0.0124 0.0039
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.055 0.2507 0.4515
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0072 0.0082
Brugia malayi jmjC domain containing protein 0.0069 0.0128 0.0077
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0115 0.011
Brugia malayi jmjC domain containing protein 0.0074 0.0149 0.0098
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0619 0.2848 0.3556
Leishmania major zinc binding dehydrogenase-like protein 0.0068 0.0118 0.019
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0149 0.0441
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.011 0.0328 0.0303
Schistosoma mansoni sex comb on midleg homolog 0.0108 0.0317 0.0992
Entamoeba histolytica acyl-CoA synthetase, putative 0.011 0.0328 1
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0167 0.061 0.0667
Leishmania major acyl carrier protein, putative 0.011 0.0328 0.1785
Entamoeba histolytica acyl-CoA synthetase, putative 0.011 0.0328 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.1156 0.5508 0.6991
Schistosoma mansoni myelin transcription factor 1 myt1 0.0123 0.0391 0.1234
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0162 0.0584 0.0657
Leishmania major zinc-binding dehydrogenase-like protein 0.0068 0.0118 0.019
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0115 0.0028
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0115 0.0028
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.011 0.0328 0.0271
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0167 0.061 0.0667
Loa Loa (eye worm) hypothetical protein 0.0069 0.0124 0.014
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.0069 0.0124 0.0119
Loa Loa (eye worm) fatty acid synthase 0.1074 0.5102 0.5772
Leishmania major hypothetical protein, conserved 0.0069 0.0124 0.0231
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0068 0.0118 0.0067
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0051 0.0156
Schistosoma mansoni [ACP] S-malonyltransferase 0.0069 0.0124 0.0358
Loa Loa (eye worm) acyl carrier protein 0.011 0.0328 0.0371
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.011 0.0328 0.0371
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.011 0.0328 0.0303
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0123 0.0391 0.0342
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0433 0.1926 0.2225
Onchocerca volvulus 0.0114 0.0349 0.0246
Echinococcus granulosus SAM and MBT domain containing protein 0.0108 0.0317 0.1553
Echinococcus granulosus lysine specific demethylase 5A 0.0074 0.0149 0.067
Loa Loa (eye worm) MBCTL1 0.0123 0.0391 0.0442
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.011 0.0328 0.0303
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.1156 0.5508 0.6991
Onchocerca volvulus 0.0108 0.0317 0.0212
Echinococcus granulosus polycomb protein SCMH1 0.0108 0.0317 0.1553
Echinococcus multilocularis lysine specific demethylase 5A 0.0069 0.0128 0.0124
Leishmania major oxidoreductase-like protein 0.0068 0.0118 0.019
Mycobacterium ulcerans polyketide synthase 0.1088 0.5174 0.6559
Mycobacterium ulcerans Type I modular polyketide synthase 0.1088 0.5174 0.6559
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0068 0.0118 0.0032
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0115 0.0028
Loa Loa (eye worm) hypothetical protein 0.061 0.2803 0.3172
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0335 0.1441 0.1739
Schistosoma mansoni hypothetical protein 0.0183 0.0688 0.2206
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1088 0.5174 0.6559
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase AdhC 0.0068 0.0118 0.0032
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0139 0.047 0.0525
Echinococcus granulosus AMP dependent ligase 0.011 0.0328 0.1609
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase Adh 0.0068 0.0118 0.0032
Trypanosoma brucei acyl transferase-like protein 0.0069 0.0124 0.0053
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0068 0.0118 0.0067
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0115 0.0493
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0162 0.0584 0.1865
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0782 0.3655 0.4599
Loa Loa (eye worm) hypothetical protein 0.0068 0.0118 0.0134
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0051 0.0036 0.0017
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.011 0.0328 0.0303
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.1627 0.7839 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.011 0.0328 0.0303
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0071 0.0134 0.0391
Brugia malayi RNA, U transporter 1 0.0089 0.0226 0.0176
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0123 0.0391 0.0432
Mycobacterium ulcerans NADPH quinone oxidoreductase FadB4 0.0068 0.0118 0.0032
Mycobacterium ulcerans NADP-dependent oxidoreductase 0.0068 0.0118 0.0032
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0139 0.047 0.2358
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0273 0.1136 1
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.011 0.0328 0.0303
Treponema pallidum acyl carrier protein 0.011 0.0328 0.5
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0068 0.0118 0.0032
Loa Loa (eye worm) mbt repeat family protein 0.0108 0.0317 0.0359
Echinococcus granulosus geminin 0.0183 0.0688 0.35
Schistosoma mansoni bromodomain containing protein 0.0147 0.051 0.1625
Mycobacterium ulcerans thioesterase TesA 0.0907 0.4275 0.5398
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0068 0.0118 0.059
Echinococcus granulosus NADH dehydrogenase 0.011 0.0328 0.1609
Schistosoma mansoni [ACP] S-malonyltransferase 0.0069 0.0124 0.0358
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0068 0.0118 0.019
Mycobacterium tuberculosis Polyketide synthase Pks13 0.1627 0.7839 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0134 0.0151
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0068 0.0118 0.0032
Giardia lamblia Methyltransferase like 2 0.0328 0.1407 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0108 0.0317 0.0992
Loa Loa (eye worm) AMP-binding enzyme family protein 0.1017 0.4819 0.5453
Brugia malayi Phosphopantetheine attachment site family protein 0.011 0.0328 0.0278
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0706 0.328 0.5927
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.1088 0.5174 0.6547
Mycobacterium ulcerans thioesterase 0.0907 0.4275 0.5398
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0273 0.1136 0.1286
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.011 0.0328 0.0278
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0051 0.0058
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0068 0.0118 0.0032
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.072 0.3348 0.4183
Toxoplasma gondii type I fatty acid synthase, putative 0.0775 0.362 0.6549
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.011 0.0328 0.0303
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.016 0.0577 0.4475
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0051 0.0121
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0068 0.0118 0.0032
Toxoplasma gondii acyl carrier protein ACP 0.011 0.0328 0.0531
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.011 0.0328 0.2059
Mycobacterium ulcerans polyketide synthase MbtD 0.0335 0.1441 0.1739
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0876 0.412 0.5199
Leishmania major oxidoreductase, putative 0.0068 0.0118 0.019
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.0069 0.0124 0.0537
Mycobacterium tuberculosis Polyketide synthase Pks2 0.1055 0.5008 0.6345
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0167 0.061 0.0637
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.0894 0.1012
Echinococcus multilocularis histone acetyltransferase MYST2 0.0123 0.0391 0.0432
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0907 0.4275 0.5384
Loa Loa (eye worm) PHD-finger family protein 0.0047 0.0014 0.0016
Plasmodium vivax malonyl CoA-acyl carrier protein transacylase precursor, putative 0.0069 0.0124 0.0785
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0068 0.0118 0.0032
Mycobacterium tuberculosis Conserved hypothetical protein 0.011 0.0328 0.0303
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0115 0.0168
Loa Loa (eye worm) hypothetical protein 0.0068 0.0118 0.0134
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.089 0.4191 0.5291
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.011 0.0328 0.0271
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0051 0.0035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0071 0.0134 0.0391
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0273 0.1136 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0273 0.1136 0.5854
Onchocerca volvulus 0.0255 0.1048 0.0991
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1156 0.5508 0.6991
Mycobacterium ulcerans Zn-dependent alcohol dehydrogenase, AdhX 0.0068 0.0118 0.0032
Brugia malayi AMP-binding enzyme family protein 0.1017 0.4819 0.4793
Mycobacterium ulcerans quinone oxidoreductase 0.0068 0.0118 0.0032
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0273 0.1136 0.7938
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0273 0.1136 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.011 0.0328 0.0278
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.011 0.0328 0.0303
Loa Loa (eye worm) jmjC domain-containing protein 0.0074 0.0149 0.0169
Mycobacterium tuberculosis Possible dehydrogenase 0.0068 0.0118 0.0032
Loa Loa (eye worm) acetyltransferase 0.0162 0.0584 0.066
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.1088 0.5174 0.5149
Mycobacterium ulcerans quinone reductase Qor 0.0068 0.0118 0.0032
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0068 0.0118 0.0032
Loa Loa (eye worm) acyl carrier protein 0.05 0.2262 0.2559
Echinococcus granulosus acyl carrier protein mitochondrial 0.011 0.0328 0.1609
Onchocerca volvulus 0.1894 0.9165 0.9643
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0336 0.1446 0.1636
Echinococcus granulosus snurportin 1 0.0336 0.1446 0.7482
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0051 0.0035
Mycobacterium ulcerans polyketide synthase Pks13 0.1627 0.7839 1
Toxoplasma gondii acyl transferase domain-containing protein 0.0069 0.0124 0.0158
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.1088 0.5174 0.6547
Schistosoma mansoni zinc binding dehydrogenase 0.0068 0.0118 0.034
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0093 0.0042
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0273 0.1136 0.1346
Loa Loa (eye worm) hypothetical protein 0.0087 0.0213 0.0241
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1088 0.5174 0.6559
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.011 0.0328 0.2059
Loa Loa (eye worm) hypothetical protein 0.0123 0.0391 0.0442
Mycobacterium tuberculosis Hypothetical protein 0.0328 0.1407 0.1696
Mycobacterium ulcerans polyketide synthase MbtC 0.0273 0.1136 0.1346
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0068 0.0118 0.0113
Mycobacterium ulcerans short-chain dehydrogenase 0.0072 0.0139 0.0059
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0068 0.0118 0.059
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0273 0.1136 0.1303
Loa Loa (eye worm) hypothetical protein 0.016 0.0575 0.065
Echinococcus granulosus histone acetyltransferase KAT2B 0.0152 0.0535 0.2699
Mycobacterium leprae Probable polyketide synthase Pks1 0.1156 0.5508 0.6981
Brugia malayi Bromodomain containing protein 0.009 0.0231 0.0181
Loa Loa (eye worm) hypothetical protein 0.01 0.028 0.0316
Loa Loa (eye worm) hypothetical protein 0.0068 0.0118 0.0134
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.011 0.0328 0.0303
Echinococcus granulosus fetal alzheimer antigen falz 0.0051 0.0036 0.0075
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0342 0.1476 0.1759
Schistosoma mansoni hypothetical protein 0.011 0.0328 0.1027
Leishmania major nuclear receptor binding factor-like protein 0.0068 0.0118 0.019
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.0069 0.0124 0.0073
Mycobacterium tuberculosis Conserved protein 0.0328 0.1407 0.1696
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.1156 0.5508 0.6981
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0115 0.0142
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.072 0.3348 0.4201
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0115 0.0331
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0093 0.0377
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0273 0.1136 0.3675
Loa Loa (eye worm) hypothetical protein 0.0068 0.0118 0.0134
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0068 0.0118 0.0032
Toxoplasma gondii type I fatty acid synthase, putative 0.1156 0.5508 1
Plasmodium falciparum acyl carrier protein 0.011 0.0328 0.2016
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0342 0.1476 0.1786
Mycobacterium ulcerans quinone oxidoreductase 0.0068 0.0118 0.0032
Trichomonas vaginalis set domain proteins, putative 0.0255 0.1048 0.7376
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0273 0.1136 0.1346
Echinococcus multilocularis geminin 0.0183 0.0688 0.0779
Mycobacterium ulcerans fatty acid synthase Fas 0.0342 0.1476 0.1786
Echinococcus granulosus histone lysine methyltransferase setb 0.0071 0.0134 0.0589
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0374 0.1636 0.1992
Leishmania major quinone oxidoreductase, putative 0.0068 0.0118 0.019
Brugia malayi PHD-finger family protein 0.006 0.0081 0.003
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0071 0.0134 0.0131
Schistosoma mansoni zinc finger protein 0.0048 0.0021 0.0023
Loa Loa (eye worm) hypothetical protein 0.0108 0.0317 0.0359
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.011 0.0328 0.0303
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0273 0.1136 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0108 0.0317 0.0212
Brugia malayi Alcohol dehydrogenase class III 0.0068 0.0118 0.0067
Schistosoma mansoni acyl carrier protein 0.011 0.0328 0.1027
Echinococcus multilocularis polycomb protein SCMH1 0.0108 0.0317 0.0346
Schistosoma mansoni sex comb on midleg homolog 0.0108 0.0317 0.0992
Mycobacterium ulcerans acyl carrier protein 0.011 0.0328 0.0303
Brugia malayi Bromodomain containing protein 0.0173 0.0642 0.0594
Loa Loa (eye worm) hypothetical protein 0.0167 0.061 0.069
Mycobacterium ulcerans acyl carrier protein 0.011 0.0328 0.0303
Trichomonas vaginalis conserved hypothetical protein 0.0328 0.1407 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.1088 0.5174 0.6559
Schistosoma mansoni jumonji/arid domain-containing protein 0.0074 0.0149 0.0441
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0876 0.412 0.5199
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0037 0.0084
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0068 0.0118 0.059
Brugia malayi AMP-binding enzyme family protein 0.0335 0.1441 0.1397
Echinococcus multilocularis AMP dependent ligase 0.011 0.0328 0.0358
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0273 0.1136 1
Schistosoma mansoni [ACP] S-malonyltransferase 0.0069 0.0124 0.0358
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0068 0.0118 0.0148
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0081 0.0185 0.0862
Plasmodium vivax acyl carrier protein, putative 0.011 0.0328 0.2643
Schistosoma mansoni jumonji domain containing protein 0.0069 0.0128 0.0371
Plasmodium vivax hypothetical protein, conserved 0.016 0.0577 0.4909
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.1055 0.5008 0.6345
Toxoplasma gondii quinone oxidoreductase, putative 0.0068 0.0118 0.0148
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1088 0.5174 0.6559
Leishmania major hypothetical protein, conserved 0.0328 0.1407 1
Trypanosoma cruzi acyl transferase-like protein, putative 0.0069 0.0124 0.0053
Onchocerca volvulus 0.1017 0.4819 0.5011
Mycobacterium leprae Polyketide synthase Pks13 0.1627 0.7839 1
Mycobacterium ulcerans oxidoreductase 0.0068 0.0118 0.0032
Leishmania major d-xylulose reductase, putative 0.0068 0.0118 0.019
Schistosoma mansoni hypothetical protein 0.0336 0.1446 0.4691
Chlamydia trachomatis acyl carrier protein 0.011 0.0328 0.2016
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0069 0.0128 0.0124
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0273 0.1136 0.1091
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0068 0.0118 0.0032
Mycobacterium tuberculosis Polyketide synthase Pks12 0.1156 0.5508 0.6991
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.1088 0.5174 0.6559
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0123 0.0391 0.1941
Echinococcus multilocularis SAM and MBT domain containing protein 0.0108 0.0317 0.0346
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0273 0.1136 0.2009
Mycobacterium ulcerans polyketide synthase 0.1156 0.5508 0.6991
Mycobacterium ulcerans oxidoreductase FadB5 0.0068 0.0118 0.0032
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0068 0.0118 0.0032
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0051 0.0156
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.0069 0.0124 0.0053
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.011 0.0328 0.2059
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0068 0.0118 0.0032
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.011 0.0328 0.0303
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.011 0.0328 0.0303
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0876 0.412 0.5183
Brugia malayi Pre-SET motif family protein 0.0224 0.0894 0.0848
Brugia malayi Methyltransferase-like protein 4 0.0328 0.1407 0.1363
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0273 0.1136 1
Onchocerca volvulus Fatty acid synthase homolog 0.1962 0.95 1
Brugia malayi acetyltransferase, GNAT family protein 0.0162 0.0584 0.0535
Schistosoma mansoni alcohol dehydrogenase 0.0068 0.0118 0.034
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0068 0.0118 0.0067
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.044 0.1963 0.2414
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0115 0.0028
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.011 0.0328 0.0223
Loa Loa (eye worm) hypothetical protein 0.0096 0.0258 0.0292
Mycobacterium tuberculosis Possible dehydrogenase 0.0068 0.0118 0.0032
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0068 0.0118 0.0032
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0081 0.0185 0.0192
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.1156 0.5508 0.6981
Echinococcus granulosus histone acetyltransferase MYST2 0.0123 0.0391 0.1941
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0433 0.1926 1
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0068 0.0118 0.0032
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.011 0.0328 0.0358
Loa Loa (eye worm) hypothetical protein 0.0167 0.061 0.069

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 7 ug ml-1 Cytotoxicity against human HeLa cells assessed as cell viability after 72 hrs by MTS assay ChEMBL. 26209266
MIC (functional) = 0.16 ug ml-1 Antimicrobial activity against TolC efflux-deficient Escherichia coli K-12 after 16 to 20 hrs by broth microdilution method ChEMBL. 24239389
MIC (functional) = 0.63 ug ml-1 Antimicrobial activity against efflux pump-positive Escherichia coli K-12 after 16 to 20 hrs by broth microdilution method ChEMBL. 24239389
MIC (functional) = 3.13 ug ml-1 Antifungal activity against Cryptococcus neoformans Cn18 (Serotype C) WTBF-106 by microbroth dilution method ChEMBL. 26209266
MIC (functional) = 16 ug ml-1 Antifungal activity against Candida albicans WTBF-50 by microbroth dilution method ChEMBL. 26209266

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

No literature references available for this target.

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