Detailed information for compound 598711

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.216 | Formula: C14H20Cl2F3NO
  • H donors: 2 H acceptors: 1 LogP: 4.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(c1ccc(c(c1)C(F)(F)F)Cl)O)NC(C)(C)C.Cl
  • InChi: 1S/C14H19ClF3NO.ClH/c1-8(19-13(2,3)4)12(20)9-5-6-11(15)10(7-9)14(16,17)18;/h5-8,12,19-20H,1-4H3;1H
  • InChiKey: RICWKGJJKCNJGI-UHFFFAOYSA-N  


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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) pyruvate kinase-PB 0.0049 0.0398 0.116
Leishmania major phosphoglycerate kinase C, glycosomal 0.0089 0.0974 0.3383
Loa Loa (eye worm) hypothetical protein 0.007 0.0699 0.2037
Mycobacterium tuberculosis Conserved protein 0.0026 0.0069 0.0169
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0759 0.185
Brugia malayi MH2 domain containing protein 0.0124 0.148 0.4311
Brugia malayi PHD-finger family protein 0.0027 0.0089 0.0261
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0022 0.0014 0.0048
Echinococcus granulosus muscleblind protein 0.016 0.1996 0.1996
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0442 0.0442
Entamoeba histolytica hypothetical protein 0.0037 0.0239 0.0274
Leishmania major phosphopantetheinyl transferase-like protein 0.0025 0.0063 0.0218
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0636 0.1549
Loa Loa (eye worm) hypothetical protein 0.0042 0.0298 0.0867
Loa Loa (eye worm) RNA binding protein 0.0261 0.3432 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.007 0.0699 0.243
Trypanosoma brucei phosphoglycerate kinase 0.0089 0.0974 0.3383
Leishmania major hypothetical protein, conserved 0.0222 0.2878 1
Schistosoma mansoni pyruvate kinase 0.007 0.0699 0.0699
Trypanosoma brucei phosphoglycerate kinase, putative 0.0033 0.017 0.059
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0759 0.2638
Loa Loa (eye worm) hypothetical protein 0.0089 0.0974 0.2836
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0025 0.0063 0.051
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0636 0.1549
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0033 0.017 0.059
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0429 0.0429
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0074 0.0759 0.185
Mycobacterium ulcerans acetyl-CoA synthetase 0.0022 0.0014 0.0033
Toxoplasma gondii thioredoxin reductase 0.0051 0.0429 0.4332
Schistosoma mansoni acetyl-CoA synthetase 0.0022 0.0014 0.0014
Echinococcus multilocularis phosphoglycerate kinase 1 0.0089 0.0974 0.0974
Loa Loa (eye worm) glutathione reductase 0.0051 0.0429 0.1251
Echinococcus multilocularis microtubule associated protein 2 0.072 1 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.0544 0.0544
Trypanosoma brucei trypanothione reductase 0.0051 0.0429 0.1492
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0025 0.0063 0.0153
Echinococcus multilocularis tar DNA binding protein 0.0261 0.3432 0.3432
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0759 0.185
Schistosoma mansoni tar DNA-binding protein 0.0261 0.3432 0.3432
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0089 0.0974 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.098 0.2854
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0636 0.648
Brugia malayi RNA binding protein 0.0261 0.3432 1
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0069 0.0241
Brugia malayi glutathione reductase 0.0051 0.0429 0.1251
Loa Loa (eye worm) hypothetical protein 0.0055 0.0492 0.1435
Echinococcus multilocularis pyruvate kinase 0.0036 0.0215 0.0215
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0014 0.004
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0053 0.0053
Plasmodium vivax phosphoglycerate kinase, putative 0.0089 0.0974 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1094 0.1094
Mycobacterium ulcerans phosphoglycerate kinase 0.0089 0.0974 0.2372
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0033 0.017 0.059
Giardia lamblia Pyruvate kinase 0.007 0.0699 0.0803
Entamoeba histolytica acyl-CoA synthetase, putative 0.0074 0.0759 0.0871
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0239 0.0239
Schistosoma mansoni tar DNA-binding protein 0.0261 0.3432 0.3432
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0449 0.1095
Echinococcus granulosus pyruvate kinase 0.007 0.0699 0.0699
Brugia malayi RNA recognition motif domain containing protein 0.0261 0.3432 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.8713 1
Echinococcus multilocularis pyruvate kinase 0.007 0.0699 0.0699
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0636 0.0636
Mycobacterium tuberculosis Probable reductase 0.0116 0.1359 0.3311
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0636 0.1549
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0063 0.0218
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.8713 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0025 0.0063 0.0153
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.254 0.2915
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.0544 0.0544
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.063 0.8713 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0449 0.1095
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.148 0.4311
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0628 0.0628
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0759 0.2638
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0636 0.0636
Plasmodium vivax pyruvate kinase, putative 0.007 0.0699 0.7143
Trichomonas vaginalis pyruvate kinase, putative 0.007 0.0699 0.0803
Trypanosoma brucei phosphoglycerate kinase 0.0033 0.017 0.059
Brugia malayi Pyruvate kinase, muscle isozyme 0.007 0.0699 0.2037
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0089 0.098 0.098
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0022 0.0014 0.0033
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0759 0.2212
Schistosoma mansoni pyruvate kinase 0.007 0.0699 0.0699
Treponema pallidum fructose-bisphosphate aldolase 0.063 0.8713 1
Leishmania major pyruvate kinase 0.007 0.0699 0.243
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.1544 0.3761
Trypanosoma brucei pyruvate kinase 1, putative 0.007 0.0699 0.243
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0022 0.0014 0.0048
Leishmania major phosphoglycerate kinase B, cytosolic 0.0089 0.0974 0.3383
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0442 0.1288
Brugia malayi Thioredoxin reductase 0.0051 0.0429 0.1251
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0204 0.2613 0.2613
Trypanosoma cruzi hypothetical protein, conserved 0.0222 0.2878 1
Brugia malayi Bromodomain containing protein 0.0081 0.0865 0.2519
Echinococcus granulosus pyruvate kinase 0.0036 0.0215 0.0215
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0022 0.0014 0.0033
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.1359 0.3311
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0022 0.0014 0.0033
Echinococcus multilocularis pyruvate kinase 0.0036 0.0215 0.0215
Schistosoma mansoni kinase 0.0101 0.1145 0.1145
Brugia malayi Muscleblind-like protein 0.016 0.1996 0.5816
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1108 0.1271
Schistosoma mansoni hypothetical protein 0.0036 0.0212 0.0212
Entamoeba histolytica acyl-CoA synthetase, putative 0.0074 0.0759 0.0871
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0074 0.0759 0.185
Schistosoma mansoni phosphoglycerate kinase 0.0089 0.0974 0.0974
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0022 0.0014 0.0048
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0069 0.0169
Schistosoma mansoni tar DNA-binding protein 0.0261 0.3432 0.3432
Chlamydia trachomatis phosphoglycerate kinase 0.0089 0.0974 1
Brugia malayi TAR-binding protein 0.0261 0.3432 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0022 0.0014 0.0014
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0022 0.0014 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.254 0.2915
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0053 0.0053
Echinococcus granulosus pyruvate kinase 0.0036 0.0215 0.0215
Brugia malayi Bromodomain containing protein 0.0041 0.0297 0.0864
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.026 0.026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1094 0.1094
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0198 0.254 0.8825
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0022 0.0014 0.0033
Echinococcus multilocularis muscleblind protein 1 0.016 0.1996 0.1996
Giardia lamblia Phosphoglycerate kinase 0.0089 0.0974 0.1117
Entamoeba histolytica hypothetical protein 0.0037 0.0239 0.0274
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0442 0.0442
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0014 0.0033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1094 0.1094
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0025 0.0063 0.051
Loa Loa (eye worm) hypothetical protein 0.0055 0.0492 0.1435
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.8713 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0022 0.0014 0.0016
Trypanosoma cruzi polo-like protein kinase, putative 0.0198 0.254 0.8825
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0074 0.0759 0.1822
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.0429 0.1046
Trypanosoma brucei hypothetical protein, conserved 0.0222 0.2878 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0448 0.1304
Mycobacterium ulcerans hypothetical protein 0.0026 0.0069 0.0169
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0089 0.0974 1
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0022 0.0014 0.0033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1094 0.1094
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0089 0.0974 1
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0759 0.2212
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0049 0.0398 0.116
Leishmania major pyruvate kinase 0.007 0.0699 0.243
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.1359 0.3311
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2212
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0021 0.0005 0.0015
Loa Loa (eye worm) hypothetical protein 0.0046 0.0364 0.106
Mycobacterium ulcerans pyruvate kinase 0.007 0.0699 0.1703
Plasmodium falciparum pyruvate kinase 2 0.0036 0.0215 0.2095
Echinococcus granulosus zinc finger protein 0.0021 0.0007 0.0007
Plasmodium falciparum pyruvate kinase 0.007 0.0699 0.7143
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0022 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.016 0.1996 0.5816
Trichomonas vaginalis antibiotic synthetase, putative 0.0022 0.0014 0.0016
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0429 0.1251
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0014 0.0033
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2212
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0074 0.0759 0.185
Schistosoma mansoni hypothetical protein 0.0314 0.4192 0.4192
Trypanosoma brucei pyruvate kinase 1 0.007 0.0699 0.243
Treponema pallidum phosphoglycerate kinase 0.0089 0.0974 0.1053
Chlamydia trachomatis pyruvate kinase 0.007 0.0699 0.6989
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0055 0.0492 0.4718
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.1094 0.1094
Loa Loa (eye worm) hypothetical protein 0.0036 0.0212 0.0618
Trypanosoma brucei polo-like protein kinase 0.0198 0.254 0.8825
Entamoeba histolytica hypothetical protein 0.0037 0.0239 0.0274
Loa Loa (eye worm) TAR-binding protein 0.0261 0.3432 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.063 0.8713 1
Plasmodium falciparum acyl-CoA synthetase 0.0055 0.0492 0.4988
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0014 0.0033
Loa Loa (eye worm) pyruvate kinase 0.007 0.0699 0.2037
Brugia malayi Phosphoglycerate kinase 0.0033 0.017 0.0495
Brugia malayi serine/threonine-protein kinase plk-2 0.0198 0.254 0.7399
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0074 0.0759 0.185
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0022 0.0014 0.0033
Plasmodium falciparum thioredoxin reductase 0.0051 0.0429 0.4332
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.1108 0.1271
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0699 0.2714
Loa Loa (eye worm) hypothetical protein 0.0055 0.0492 0.1435
Echinococcus granulosus geminin 0.0182 0.2304 0.2304
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0116 0.1359 0.3289
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.8713 1
Schistosoma mansoni bromodomain containing protein 0.0069 0.0683 0.0683
Loa Loa (eye worm) pyruvate kinase 0.007 0.0699 0.2037
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0022 0.0014 0.004
Toxoplasma gondii pyruvate kinase PyKII 0.0036 0.0215 0.2095
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0261 0.3432 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0022 0.0014 0.0048
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0022 0.0014 0.004
Loa Loa (eye worm) hypothetical protein 0.0052 0.0442 0.1288
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0198 0.254 0.254
Echinococcus multilocularis pyruvate kinase 0.0055 0.049 0.049
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0014 0.004
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.026 0.026
Giardia lamblia Kinase, PLK 0.0198 0.254 0.2915
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0089 0.0974 0.2372
Leishmania major acetyl-CoA synthetase, putative 0.0022 0.0014 0.0048
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0014 0.0033
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0442 0.0442
Entamoeba histolytica hypothetical protein 0.0025 0.0063 0.0072
Trypanosoma brucei phosphoglycerate kinase 0.0089 0.0974 0.3383
Onchocerca volvulus 0.0074 0.0759 0.2951
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0628 0.0628
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0759 0.2212
Plasmodium vivax glutathione reductase, putative 0.0051 0.0429 0.4332
Mycobacterium ulcerans hypothetical protein 0.0074 0.0759 0.185
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0014 0.0033
Echinococcus multilocularis muscleblind protein 0.016 0.1996 0.1996
Loa Loa (eye worm) hypothetical protein 0.0055 0.0492 0.1435
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.148 0.4311
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0025 0.0063 0.0153
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.1094 0.1094
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0014 0.0033
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0033 0.017 0.059
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0089 0.0974 0.1117
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0442 0.0442
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0022 0.0014 0.0016
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0022 0.0014 0.004
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0069 0.0169
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0089 0.0974 0.2346
Schistosoma mansoni serine/threonine protein kinase 0.0198 0.254 0.254
Loa Loa (eye worm) hypothetical protein 0.0052 0.0448 0.1304
Echinococcus granulosus L aminoadipate semialdehyde 0.0089 0.098 0.098
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0014 0.0033
Onchocerca volvulus 0.0026 0.0073 0.0235
Onchocerca volvulus 0.0089 0.098 0.3825
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0204 0.2613 0.2613
Onchocerca volvulus 0.0052 0.0442 0.1696
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0014 0.0033
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0022 0.0014 0.0033
Trichomonas vaginalis pyruvate kinase, putative 0.007 0.0699 0.0803
Toxoplasma gondii pyruvate kinase PyK1 0.007 0.0699 0.7143
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0198 0.254 0.254
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0449 0.1095
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0063 0.051
Mycobacterium leprae conserved hypothetical protein 0.0025 0.0063 0.012
Entamoeba histolytica hypothetical protein 0.0037 0.0239 0.0274
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0014 0.004
Entamoeba histolytica pyruvate kinase, putative 0.0049 0.0398 0.0457
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0239 0.0239
Brugia malayi hypothetical protein 0.0037 0.0239 0.0696
Loa Loa (eye worm) pyruvate kinase 0.007 0.0699 0.2037
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0636 0.1549
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0636 0.2209
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.004
Trypanosoma cruzi hypothetical protein, conserved 0.0222 0.2878 1
Echinococcus granulosus tar DNA binding protein 0.0261 0.3432 0.3432
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.0544 0.0544
Loa Loa (eye worm) oxidoreductase 0.0022 0.0014 0.004
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0442 0.0442
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0089 0.0974 0.3383
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0022 0.0014 0.0033
Mycobacterium ulcerans hypothetical protein 0.0026 0.0069 0.0169
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0022 0.0014 0.004
Entamoeba histolytica acyl-coA synthetase, putative 0.0074 0.0759 0.0871
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0448 0.1304
Entamoeba histolytica serine/threonine protein kinase, putative 0.0198 0.254 0.2915
Loa Loa (eye worm) hypothetical protein 0.0022 0.0014 0.004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.1094 0.1094
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0429 0.1492
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0198 0.254 0.7399
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0308 0.4105 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0212 0.0618
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0699 0.2714
Schistosoma mansoni pyruvate kinase 0.0036 0.0215 0.0215
Plasmodium falciparum phosphoglycerate kinase 0.0089 0.0974 1
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.254 0.2915
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0022 0.0014 0.0048
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.1544 0.3761
Mycobacterium leprae Probable pyruvate kinase PykA 0.007 0.0699 0.1676
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0026 0.0069 0.008
Plasmodium falciparum glutathione reductase 0.0051 0.0429 0.4332
Plasmodium vivax acyl-CoA synthetase, putative 0.0055 0.0492 0.4988
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0308 0.4105 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.8713 1
Echinococcus multilocularis pyruvate kinase 0.007 0.0699 0.0699
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.0544 0.1586
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.254 0.2915
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.8713 1
Brugia malayi mbt repeat family protein 0.0052 0.0442 0.1288
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0069 0.0241
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0022 0.0014 0.0033
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0239 0.0239
Schistosoma mansoni hypothetical protein 0.0182 0.2304 0.2304
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0759 0.2638
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0074 0.0759 0.1822
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.007 0.0699 0.1703
Onchocerca volvulus Pyruvate kinase homolog 0.007 0.0699 0.2714
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0022 0.0014 0.0033
Echinococcus granulosus phosphoglycerate kinase 1 0.0089 0.0974 0.0974
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.8713 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0014 0.0033
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0063 0.051
Loa Loa (eye worm) MBCTL1 0.0059 0.0544 0.1586
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0033 0.017 0.059
Trypanosoma cruzi pyruvate kinase 2, putative 0.007 0.0699 0.243
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0026 0.0069 0.0169
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0074 0.0759 0.185
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0636 0.0636
Plasmodium vivax pyruvate kinase 2, putative 0.0036 0.0215 0.2095
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.1544 0.374
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0442 0.0442
Trypanosoma cruzi polo-like protein kinase, putative 0.0198 0.254 0.8825
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0022 0.0014 0.0033
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0014 0.0033
Entamoeba histolytica phosphoglycerate kinase, putative 0.0089 0.0974 0.1117
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.1359 0.3311
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0449 0.1095
Echinococcus multilocularis zinc finger protein 0.0021 0.0007 0.0007
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0429 0.4332
Echinococcus granulosus pyruvate kinase 0.0036 0.0215 0.0215
Schistosoma mansoni hypothetical protein 0.0037 0.0239 0.0239
Giardia lamblia Fructose-bisphosphate aldolase 0.063 0.8713 1
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.254 0.2915
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.1359 0.3311
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0033 0.017 0.059
Loa Loa (eye worm) hypothetical protein 0.0077 0.0799 0.2326
Echinococcus multilocularis geminin 0.0182 0.2304 0.2304
Brugia malayi Pyruvate kinase, M2 isozyme 0.007 0.0699 0.2037
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.254 0.2915
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0055 0.0492 0.12
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0089 0.0974 0.1117
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0022 0.0014 0.0033
Brugia malayi Phosphoglycerate kinase 0.0089 0.0974 0.2836
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0053 0.0053
Brugia malayi mbt repeat family protein 0.0052 0.0442 0.1288
Schistosoma mansoni phosphoglycerate kinase 0.0089 0.0974 0.0974
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0759 0.185
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0429 0.0429
Echinococcus multilocularis L aminoadipate semialdehyde 0.0089 0.098 0.098
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.1094 0.3188
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0022 0.0014 0.0048
Giardia lamblia Pyruvate kinase 0.0036 0.0215 0.0246
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0636 0.0636
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2212
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.0544 0.0544
Onchocerca volvulus Serine\/threonine kinase homolog 0.0198 0.254 1
Leishmania major acetyl-CoA synthetase, putative 0.0022 0.0014 0.0048
Loa Loa (eye worm) hypothetical protein 0.016 0.1996 0.5816
Schistosoma mansoni hypothetical protein 0.0022 0.0023 0.0023
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0308 0.4105 1
Leishmania major trypanothione reductase 0.0051 0.0429 0.1492
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0022 0.0014 0.0048
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.1359 0.3311
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0069 0.0241
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0022 0.0014 0.0033
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0014 0.004
Schistosoma mansoni microtubule-associated protein tau 0.072 1 1
Schistosoma mansoni hypothetical protein 0.0182 0.2304 0.2304
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0448 0.1304
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0055 0.0492 0.12
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.1094 0.3188
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0089 0.0974 0.3383
Schistosoma mansoni tar DNA-binding protein 0.0261 0.3432 0.3432
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0089 0.098 0.2854
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0033 0.017 0.059
Loa Loa (eye worm) hypothetical protein 0.0059 0.0544 0.1586
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.8713 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0074 0.0759 0.185
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.1544 0.3761
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0014 0.0033
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.254 0.2915
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0026 0.0069 0.0169
Echinococcus multilocularis citrate lyase subunit beta protein 0.0026 0.0069 0.0069
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0022 0.0014 0.0033
Schistosoma mansoni zinc finger protein 0.0021 0.0007 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0261 0.3432 0.3432
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0023 0.0068
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0442 0.1696
Echinococcus granulosus pyruvate kinase 0.007 0.0699 0.0699
Loa Loa (eye worm) hypothetical protein 0.0044 0.0334 0.0974
Echinococcus multilocularis pyruvate kinase 0.0036 0.0215 0.0215
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0014 0.0033
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0442 0.0442
Echinococcus granulosus citrate lyase subunit beta protein 0.0026 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0055 0.0492 0.1435

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 0 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 0.38 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 1.11 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 1.86 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 97 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 97 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 0.77 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -6 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = -1 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 97 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 97 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.13 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.74227 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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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