Detailed information for compound 1899292

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.755 | Formula: C14H19ClF3NO
  • H donors: 2 H acceptors: 1 LogP: 3.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]([C@@H](c1ccc(c(c1)C(F)(F)F)Cl)O)NC(C)(C)C
  • InChi: 1S/C14H19ClF3NO/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/t8-,12+/m1/s1
  • InChiKey: PNDCCWDNAVTFLP-PELKAZGASA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.3 uM Antiplasmodial activity against ring stage Plasmodium falciparum 3D7A infected in erythrocytes incubated for 24 hrs prior to [3H]hypoxanthine incorporation measured after 24 hrs ChEMBL. 24944739

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 24944739

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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