Detailed information for compound 211194

Basic information

Technical information
  • TDR Targets ID: 211194
  • Name: 3-phenyl-2-(pyrrolidine-2-carbonylamino)propa noic acid
  • MW: 262.304 | Formula: C14H18N2O3
  • H donors: 3 H acceptors: 3 LogP: -1.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1
  • InChi: 1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)
  • InChiKey: IWIANZLCJVYEFX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[oxo(2-pyrrolidinyl)methyl]amino]-3-phenylpropanoic acid
  • 3-phenyl-2-(pyrrolidin-2-ylcarbonylamino)propanoic acid
  • 3-phenyl-2-(prolylamino)propionic acid
  • 2-[[oxo-(2-pyrrolidinyl)methyl]amino]-3-phenylpropanoic acid

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
Mycobacterium tuberculosis Probable aminotransferase 0.0023 0.018 0.0289
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0642 0.0642
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.0041 0.0624 0.0867
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0118 0.2557 0.2557
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0118 0.2557 0.3638
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0058 0.1051 0.1476
Entamoeba histolytica protein kinase, putative 0.0413 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0244 0.0952
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0016 0.0016
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0033 0.0417 0.0572
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.2383 0.385
Entamoeba histolytica protein kinase, putative 0.0413 1 1
Schistosoma mansoni coup transcription factor 0.0046 0.0743 0.1057
Schistosoma mansoni ap endonuclease 0.0019 0.0061 0.0087
Brugia malayi nuclear receptor RXR 0.0024 0.02 0.02
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1231 0.1231
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0046 0.0743 0.0743
Schistosoma mansoni aldehyde dehydrogenase 0.0192 0.4419 0.6287
Brugia malayi steroid hormone receptor 0.0046 0.0743 0.0743
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0046 0.0743 0.0743
Schistosoma mansoni RAR-like nuclear receptor 0.0046 0.0743 0.1057
Toxoplasma gondii thioredoxin reductase 0.0049 0.0815 0.1844
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0023 0.018 0.0234
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0046 0.0743 0.0743
Brugia malayi nuclear hormone receptor family member odr-7 0.0022 0.0135 0.0135
Brugia malayi PHD-finger family protein 0.003 0.0346 0.0346
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0743 0.0743
Mycobacterium ulcerans acetylornithine aminotransferase 0.0023 0.018 0.0234
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.2383 0.385
Schistosoma mansoni carbonic anhydrase 0.0027 0.0268 0.0381
Echinococcus granulosus Nuclear hormone receptor HR96 0.0022 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0041 0.0624 0.0624
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0346 0.0346
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0016 0.0059
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.2383 0.385
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0046 0.0743 0.1057
Echinococcus granulosus ecdysone induced protein 78C 0.0046 0.0743 0.0743
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0118 0.2557 0.3638
Loa Loa (eye worm) hypothetical protein 0.0027 0.0268 0.0268
Loa Loa (eye worm) glutathione reductase 0.0049 0.0815 0.0815
Leishmania major hypothetical protein, conserved 0.0026 0.0244 0.0551
Brugia malayi hypothetical protein 0.0022 0.0135 0.0135
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.2695 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0135 0.0135
Plasmodium vivax glutathione reductase, putative 0.0049 0.0815 1
Echinococcus multilocularis carbonic anhydrase 0.0027 0.0268 0.0268
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1388 0.5426
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Echinococcus granulosus peregrin 0.003 0.0346 0.0346
Plasmodium falciparum glutathione reductase 0.0017 0.0016 0.0186
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Loa Loa (eye worm) steroid hormone receptor 0.0046 0.0743 0.0743
Brugia malayi nuclear receptor NHR-88 0.0022 0.0135 0.0135
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0244 0.0952
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0133 0.2929 0.2929
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.0041 0.0624 0.0867
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0346 0.0346
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0505 0.0505
Loa Loa (eye worm) nuclear receptor NHR-67 0.0022 0.0135 0.0135
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0114 0.2455 0.3479
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.0041 0.0624 0.0888
Echinococcus multilocularis FTZ F1 alpha 0.0046 0.0743 0.0743
Brugia malayi Nuclear hormone receptor E75 0.0022 0.0135 0.0135
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0046 0.0743 0.0743
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0022 0.0135 0.0192
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0016 0.0016
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0118 0.2557 0.2557
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0001 0.0001
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0023 0.018 0.0234
Loa Loa (eye worm) hypothetical protein 0.0046 0.0743 0.0743
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0023 0.018 0.0405
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0262 0.6189 0.6189
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0022 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0046 0.0743 0.0743
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.02 0.0284
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.0041 0.0624 0.0624
Loa Loa (eye worm) hypothetical protein 0.0027 0.0268 0.0268
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0172 0.3915 0.556
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0061 0.0236
Mycobacterium ulcerans aldehyde dehydrogenase 0.0192 0.4419 0.6278
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.115 0.115
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0346 0.0782
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0244 0.2988
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0016 0.0059
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0023 0.018 0.0234
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0244 0.2988
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0743 0.0743
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0268 0.0268
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.4928 0.7011
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0041 0.0624 0.0624
Loa Loa (eye worm) nuclear hormone receptor 0.0022 0.0135 0.0135
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0022 0.0135 0.0135
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0046 0.0743 0.0743
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0016 0.0034
Brugia malayi Nuclear hormone receptor-like 1 0.0046 0.0743 0.0743
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0016 0.0059
Echinococcus granulosus nuclear receptor nhr 48 0.0022 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0027 0.0268 0.0268
Schistosoma mansoni carbonic anhydrase-related 0.0027 0.0268 0.0381
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0023 0.018 0.0234
Brugia malayi hypothetical protein 0.0024 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0046 0.0743 0.0743
Brugia malayi ecdysone receptor 0.0022 0.0135 0.0135
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0016 0.0034
Brugia malayi Bromodomain containing protein 0.003 0.0346 0.0346
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0882 0.0882
Brugia malayi isocitrate dehydrogenase 0.0016 0.0001 0.0001
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0135 0.0192
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1231 0.1751
Brugia malayi Nuclear hormone receptor E75 0.0022 0.0135 0.0135
Onchocerca volvulus 0.0046 0.0743 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0743 0.0743
Echinococcus multilocularis carbonic anhydrase 0.0027 0.0268 0.0268
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0061 0.0236
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1388 0.5426
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0046 0.0743 0.0743
Schistosoma mansoni hypothetical protein 0.0027 0.0268 0.0381
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0882 0.0882
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0046 0.0743 0.1057
Loa Loa (eye worm) hypothetical protein 0.0026 0.0244 0.0244
Brugia malayi nuclear hormone receptor 0.0046 0.0743 0.0743
Echinococcus multilocularis nuclear receptor nhr 48 0.0022 0.0135 0.0135
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0815 0.0815
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.1388 0.1974
Brugia malayi orphan nuclear receptor NR2E1 0.0022 0.0135 0.0135
Brugia malayi photoreceptor-specific nuclear receptor 0.0046 0.0743 0.0743
Leishmania major trypanothione reductase 0.0049 0.0815 0.1844
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0046 0.0743 0.1057
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0046 0.0743 0.0743
Trichomonas vaginalis aldehyde oxidase, putative 0.0172 0.3915 0.556
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0118 0.2557 0.2557
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0046 0.0743 0.0743
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0033 0.0417 0.0673
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0061 0.0061
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0001 0.0001
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0061 0.0061
Brugia malayi jmjC domain containing protein 0.0036 0.0505 0.0505
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0023 0.018 0.0256
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.2695 0.4353
Loa Loa (eye worm) hypothetical protein 0.0046 0.0743 0.0743
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0061 0.0098
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0262 0.6189 1
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0631 0.0631
Schistosoma mansoni hypothetical protein 0.003 0.0346 0.0493
Schistosoma mansoni zinc finger protein 0.0022 0.0135 0.0192
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0268 0.0268
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0081 0.163 0.2302
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0027 0.0268 0.0268
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0016 0.0059
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0172 0.3915 0.556
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0051 0.0873 0.1223
Brugia malayi hypothetical protein 0.0022 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Toxoplasma gondii hypothetical protein 0.0027 0.0268 0.0605
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.1388 0.1335
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0192 0.4419 0.4419
Echinococcus granulosus carbonic anhydrase 0.0027 0.0268 0.0268
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.1388 0.3139
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0058 0.1051 0.1698
Echinococcus granulosus carbonic anhydrase 0.0027 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0022 0.0135 0.0135
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.5578 0.5578
Loa Loa (eye worm) hypothetical protein 0.0035 0.0474 0.0474
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0268 0.0268
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0244 0.0551
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.2383 0.385
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0016 0.0034
Brugia malayi ecdysteroid receptor 0.0046 0.0743 0.0743
Plasmodium falciparum thioredoxin reductase 0.0017 0.0016 0.0186
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.1388 0.1388
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0505 0.0505
Echinococcus granulosus nuclear factor of activated T cells 5 0.008 0.1595 0.1595
Echinococcus granulosus thyroid hormone receptor alpha 0.0022 0.0135 0.0135
Echinococcus granulosus carbonic anhydrase 0.0027 0.0268 0.0268
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0061 0.0064
Loa Loa (eye worm) hypothetical protein 0.0024 0.02 0.02
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0024 0.02 0.02
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0023 0.018 0.0289
Loa Loa (eye worm) IRE protein kinase 0.0413 1 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0081 0.163 0.2302
Brugia malayi nuclear hormone receptor 0.0022 0.0135 0.0135
Echinococcus granulosus FTZ F1 alpha 0.0046 0.0743 0.0743
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.02 0.02
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0743 0.0743
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0046 0.0743 0.0743
Onchocerca volvulus Protein ultraspiracle homolog 0.0046 0.0743 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0118 0.2557 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0016 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0046 0.0743 0.0743
Loa Loa (eye worm) hypothetical protein 0.0041 0.0624 0.0624
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0046 0.0743 0.1057
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0061 0.0064
Loa Loa (eye worm) hypothetical protein 0.0024 0.02 0.02
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0061 0.0137
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0244 0.0952
Brugia malayi nuclear hormone receptor family member nhr-6 0.0022 0.0135 0.0135
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0033 0.0417 0.0572
Schistosoma mansoni steroid hormone receptor ad4bp 0.0046 0.0743 0.1057
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0413 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0743 0.0743
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0133 0.2929 0.2929
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0046 0.0743 0.0743
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0022 0.0135 0.0192
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.2695 0.4353
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0061 0.1368
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0474 0.0474
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0016 0.0034
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0016 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0046 0.0743 0.0743
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 0.0041 0.0624 0.1007
Echinococcus granulosus Nuclear hormone receptor HR96 0.0022 0.0135 0.0135
Giardia lamblia PHD finger protein 15 0.003 0.0346 1
Schistosoma mansoni thyroid hormone receptor 0.0178 0.408 0.5804
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0061 0.0236
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0505 0.0718
Brugia malayi hypothetical protein 0.0017 0.0013 0.0013
Brugia malayi Protein kinase domain containing protein 0.0017 0.0016 0.0016
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1231 0.1751
Onchocerca volvulus Bile acid receptor homolog 0.0046 0.0743 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0743 0.0743
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1388 0.5426
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.2063 0.2063
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0016 0.0034
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1231 0.1751
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0192 0.4419 0.4419
Trichomonas vaginalis conserved hypothetical protein 0.0211 0.4895 0.6958
Mycobacterium tuberculosis Probable aldehyde dehydrogenase NAD dependent AldA (aldehyde dehydrogenase [NAD+]) 0.0041 0.0624 0.1007
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0111 0.2383 0.8761
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0346 0.0493
Loa Loa (eye worm) carbonic anhydrase 3 0.0118 0.2557 0.2557
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0743 0.0743
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0058 0.1051 0.1476
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0022 0.0135 0.0135
Leishmania major carbonic anhydrase-like protein 0.0118 0.2557 0.5785
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0046 0.0743 0.0743
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0046 0.0743 0.0743
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0413 1 1
Mycobacterium ulcerans glutaminase 0.0295 0.7029 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis Aminotransferase class III 0.0023 0.018 0.018
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1231 0.1231
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0882 0.0882
Loa Loa (eye worm) glutaminase 0.0295 0.7029 0.7029
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0815 0.0815
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0027 0.0268 0.0268
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0016 0.0059
Echinococcus multilocularis carbonic anhydrase 0.0027 0.0268 0.0268
Brugia malayi nuclear receptor NHR-88 0.0046 0.0743 0.0743
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0024 0.02 0.02
Schistosoma mansoni carbonic anhydrase-related 0.0027 0.0268 0.0381
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0016 0.0034
Loa Loa (eye worm) hypothetical protein 0.0046 0.0743 0.0743
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.2063 0.2063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0046 0.0743 0.0743
Loa Loa (eye worm) hypothetical protein 0.003 0.0346 0.0346
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0743 0.1057
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0815 0.1317
Plasmodium vivax hypothetical protein, conserved 0.003 0.0346 0.4242
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0346 0.0346
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0023 0.018 0.0289
Plasmodium falciparum phd finger protein, putative 0.003 0.0346 0.4242
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0061 0.0064
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0023 0.018 0.0289
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0016 0.0186
Schistosoma mansoni hypothetical protein 0.0035 0.0474 0.0674
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0046 0.0743 0.0743
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0046 0.0743 0.1057
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0022 0.0135 0.0135
Brugia malayi tailless protein 0.0022 0.0135 0.0135
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0061 0.0741
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0192 0.4419 0.714
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0192 0.4419 1
Echinococcus granulosus ornithine aminotransferase 0.0023 0.018 0.018
Plasmodium falciparum thioredoxin reductase 0.0049 0.0815 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0118 0.2557 1
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0041 0.0624 0.0624
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.1388 0.1388
Brugia malayi follicle stimulating hormone receptor 0.0238 0.5578 0.5578
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0046 0.0743 0.0743
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0027 0.0268 0.0268
Loa Loa (eye worm) RNA binding protein 0.0065 0.1231 0.1231
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0016 0.0186
Mycobacterium ulcerans aldehyde dehydrogenase 0.0192 0.4419 0.6278
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.02 0.02
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0022 0.0135 0.0135
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1231 0.1231
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0061 0.2756
Loa Loa (eye worm) glutaminase 2 0.0295 0.7029 0.7029
Plasmodium falciparum glutathione reductase 0.0049 0.0815 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0016 0.0025
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.2383 0.385
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0081 0.163 0.2633
Brugia malayi Thioredoxin reductase 0.0049 0.0815 0.0815
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0061 0.1621
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0016 0.0016
Treponema pallidum hypothetical protein 0.0028 0.0295 1
Brugia malayi Steroid receptor seven-up type 2 0.0046 0.0743 0.0743
Schistosoma mansoni nuclear receptor 0.0022 0.0135 0.0192
Mycobacterium tuberculosis Probable reductase 0.0111 0.2383 0.385
Schistosoma mansoni glutaminase 0.0295 0.7029 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0046 0.0743 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Brugia malayi glutathione reductase 0.0049 0.0815 0.0815
Echinococcus granulosus carbonic anhydrase II 0.0118 0.2557 0.2557
Brugia malayi hypothetical protein 0.0024 0.02 0.02
Schistosoma mansoni carbonic anhydrase-related 0.0027 0.0268 0.0381
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0346 0.0782
Plasmodium vivax ornithine aminotransferase, putative 0.0023 0.018 0.2198
Mycobacterium ulcerans aldehyde dehydrogenase 0.0192 0.4419 0.6278
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0046 0.0743 0.0743
Echinococcus multilocularis nuclear factor of activated T cells 5 0.008 0.1595 0.1595
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0023 0.018 0.0289
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0016 0.0059
Treponema pallidum quinoline 2-oxidoreductase 0.0027 0.0278 0.9414
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0016 0.0059
Schistosoma mansoni retinoic acid receptor RXR 0.0046 0.0743 0.1057
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0016 0.0059
Loa Loa (eye worm) hypothetical protein 0.0051 0.0882 0.0882
Trypanosoma brucei trypanothione reductase 0.0049 0.0815 0.3187
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0016 0.0186
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1231 0.1231
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.1388 0.1388
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0743 0.0743
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0046 0.0743 0.0743
Brugia malayi glutaminase DH11.1 0.0295 0.7029 0.7029
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0743 0.0743
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Toxoplasma gondii aldehyde dehydrogenase 0.0192 0.4419 1
Echinococcus granulosus Aminotransferase class III 0.0023 0.018 0.018
Schistosoma mansoni thyroid hormone receptor 0.0178 0.408 0.5804
Schistosoma mansoni jumonji domain containing protein 0.0078 0.1555 0.2212
Echinococcus multilocularis peregrin 0.003 0.0346 0.0346
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0024 0.02 0.02
Brugia malayi RNA binding protein 0.0065 0.1231 0.1231
Plasmodium falciparum ornithine aminotransferase 0.0023 0.018 0.2198
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0743 0.0743
Trichomonas vaginalis glutaminase, putative 0.0295 0.7029 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0061 0.0741
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Trypanosoma brucei aldehyde dehydrogenase, putative 0.0041 0.0624 0.2438
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0016 0.0059
Loa Loa (eye worm) hypothetical protein 0.0024 0.02 0.02
Trypanosoma brucei carbonic anhydrase-like protein 0.0118 0.2557 1
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0135 0.0192
Mycobacterium ulcerans succinate-semialdehyde dehydrogenase 0.0041 0.0624 0.0867
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0024 0.02 0.0284
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0022 0.0135 0.0135
Treponema pallidum hypothetical protein 0.0023 0.0171 0.555
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1231 0.1751
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0046 0.0743 0.0743
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0061 0.0061
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0041 0.0624 0.2438
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.1388 0.1388
Schistosoma mansoni hypothetical protein 0.0133 0.2929 0.4167
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0815 0.3187
Echinococcus multilocularis carbonic anhydrase II 0.0118 0.2557 0.2557
Brugia malayi TAR-binding protein 0.0065 0.1231 0.1231
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0046 0.0743 0.0743
Brugia malayi jmjC domain containing protein 0.0098 0.2063 0.2063
Brugia malayi hypothetical protein 0.0026 0.0244 0.0244
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.018 0.018
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0023 0.018 1
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0642 0.0642
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0016 0.0186
Brugia malayi nuclear receptor NHR-67 0.0022 0.0135 0.0135
Echinococcus multilocularis ecdysone induced protein 78C 0.0046 0.0743 0.0743
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0135 0.0135
Schistosoma mansoni ap endonuclease 0.0019 0.0061 0.0087
Schistosoma mansoni nuclear receptor nhr-48 0.0022 0.0135 0.0192
Mycobacterium ulcerans L-lysine aminotransferase 0.0262 0.6189 0.8803
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.018 0.018
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0016 0.0059
Mycobacterium ulcerans hypothetical protein 0.0023 0.018 0.0234
Echinococcus granulosus tar DNA binding protein 0.0065 0.1231 0.1231
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Brugia malayi nuclear receptor RXR 0.0022 0.0135 0.0135
Echinococcus multilocularis thyroid hormone receptor alpha 0.0178 0.408 0.408
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1231 0.1751
Toxoplasma gondii exonuclease III APE 0.0019 0.0061 0.0137
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0024 0.02 0.02
Schistosoma mansoni aldehyde dehydrogenase 0.0192 0.4419 0.6287
Mycobacterium ulcerans hypothetical protein 0.0028 0.0295 0.0397
Onchocerca volvulus Alhambra homolog 0.003 0.0346 0.3479
Schistosoma mansoni nuclear receptor 0.0022 0.0135 0.0192
Loa Loa (eye worm) DR-78 0.0022 0.0135 0.0135
Mycobacterium leprae PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD 0.0041 0.0624 0.1766
Loa Loa (eye worm) hypothetical protein 0.0051 0.0885 0.0885
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0743 0.0743
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0023 0.018 1
Leishmania major aldehyde dehydrogenase, putative 0.0041 0.0624 0.141
Plasmodium falciparum carbonic anhydrase 0.0027 0.0268 0.3278
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0046 0.0743 0.0743
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0505 0.0718
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0023 0.018 0.0234
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0244 0.2988
Loa Loa (eye worm) hypothetical protein 0.0024 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0022 0.0135 0.0135
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0046 0.0743 0.1057
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0061 0.0061
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0046 0.0743 0.0743
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0023 0.018 0.0234
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0016 0.0059
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.0041 0.0624 0.0624
Toxoplasma gondii NADP-dependent succinate-semialdehyde dehydrogenase 0.0041 0.0624 0.141
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0815 1
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0631 0.0631
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0743 0.0743
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.2695 0.4353
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0016 0.0059
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0743 0.0743
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0815 0.0815
Brugia malayi conserved hypotetical protein 0.0022 0.0135 0.0135
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0211 0.4895 0.6958

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.9 mM Inhibition constant (Ki) for human intestinal peptide carrier ChEMBL. 14667225
Permeability (ADMET) = 0.00000114 cm s-1 Basolateral to apical fluxes of the compound across Caco-2 cell monolayers at 37 degree celsius was studied. ChEMBL. 11020278
Permeability (ADMET) = 0.00000229 cm s-1 Apical to basolateral fluxes of the compound across Caco-2 cell monolayers at 37 degree celsius was studied. ChEMBL. 11020278

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

2 literature references were collected for this gene.

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