Detailed information for compound 1521017

Basic information

Technical information
  • TDR Targets ID: 1521017
  • Name: methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropan oyl]amino]propanoate
  • MW: 189.209 | Formula: C8H15NO4
  • H donors: 2 H acceptors: 3 LogP: -0.32 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H](C(=O)OC)NC(=O)[C@H](CO)C
  • InChi: 1S/C8H15NO4/c1-5(4-10)7(11)9-6(2)8(12)13-3/h5-6,10H,4H2,1-3H3,(H,9,11)/t5-,6-/m0/s1
  • InChiKey: DTCFOPQQKNHXNY-WDSKDSINSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl (2S)-2-[[(2S)-3-hydroxy-2-methyl-propanoyl]amino]propanoate
  • (2S)-2-[[(2S)-3-hydroxy-2-methyl-1-oxopropyl]amino]propanoic acid methyl ester
  • (2S)-2-[[(2S)-3-hydroxy-2-methyl-propanoyl]amino]propionic acid methyl ester
  • CMLDBU00002672
  • CMLD2_000033
  • NCGC00017540-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0146 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.2105 0.2817
Schistosoma mansoni hypothetical protein 0.0074 0.2476 0.3314
Brugia malayi photoreceptor-specific nuclear receptor 0.0037 0.0797 0.2451
Onchocerca volvulus Bile acid receptor homolog 0.0037 0.0797 0.2005
Loa Loa (eye worm) animal heme peroxidase 0.0028 0.0405 0.129
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0037 0.0797 0.2451
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0037 0.0797 0.2451
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0812 0.1087
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0146 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0812 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.0797 0.2451
Brugia malayi bZIP transcription factor family protein 0.0091 0.3253 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0037 0.0797 0.1067
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.2105 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0797 0.254
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.2587
Schistosoma mansoni ap endonuclease 0.0023 0.0146 0.0195
Loa Loa (eye worm) hypothetical protein 0.0037 0.0797 0.254
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0797 0.1067
Brugia malayi nuclear receptor NHR-88 0.0037 0.0797 0.2451
Schistosoma mansoni hypothetical protein 0.0183 0.7473 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0037 0.0797 0.2451
Mycobacterium ulcerans hypothetical protein 0.0037 0.0812 0.34
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0146 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0146 0.5
Schistosoma mansoni hypothetical protein 0.013 0.5069 0.6783
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0812 0.1087
Brugia malayi Animal haem peroxidase family protein 0.0028 0.0405 0.1245
Loa Loa (eye worm) animal heme peroxidase 0.0028 0.0405 0.129
Loa Loa (eye worm) blistered cuticle protein 3 0.0028 0.0405 0.129
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.2587
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0812 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.5069 0.6783
Brugia malayi Animal haem peroxidase family protein 0.0028 0.0405 0.1245
Brugia malayi Animal haem peroxidase family protein 0.0028 0.0405 0.1245
Onchocerca volvulus 0.0037 0.0812 0.2079
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.0797 0.2451
Echinococcus multilocularis ecdysone induced protein 78C 0.0037 0.0797 0.1067
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0037 0.0797 0.1067
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Schistosoma mansoni retinoic acid receptor RXR 0.0037 0.0797 0.1067
Brugia malayi Animal haem peroxidase family protein 0.0028 0.0405 0.1245
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0037 0.0797 0.1067
Echinococcus multilocularis thyroid hormone receptor alpha 0.0167 0.6759 0.9045
Brugia malayi Animal haem peroxidase family protein 0.0028 0.0405 0.1245
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0091 0.3253 0.4353
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.2105 0.2817
Loa Loa (eye worm) hypothetical protein 0.0037 0.0797 0.254
Mycobacterium tuberculosis Conserved protein 0.0037 0.0812 0.0676
Brugia malayi ecdysteroid receptor 0.0037 0.0797 0.2451
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0037 0.0797 0.2451
Mycobacterium leprae Probable lipase LipE 0.0037 0.0812 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0812 0.0676
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.2105 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0037 0.0797 0.254
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0812 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0037 0.0797 0.1067
Loa Loa (eye worm) beta-lactamase 0.0037 0.0812 0.2587
Brugia malayi Blistered cuticle protein 3 0.0028 0.0405 0.1245
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0812 0.0676
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.2105 0.2817
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0037 0.0797 0.1067
Loa Loa (eye worm) animal heme peroxidase 0.0028 0.0405 0.129
Brugia malayi Peroxidasin 0.0028 0.0405 0.1245
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.2105 1
Onchocerca volvulus 0.0037 0.0812 0.2079
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0037 0.0797 0.1067
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0091 0.3253 0.4353
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0037 0.0797 0.2451
Echinococcus granulosus peroxidasin 0.0028 0.0405 0.0542
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0146 0.0449
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.2587
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0037 0.0797 0.2451
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0812 0.2587
Brugia malayi beta-lactamase 0.0037 0.0812 0.2496
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0037 0.0797 0.1067
Onchocerca volvulus Protein ultraspiracle homolog 0.0037 0.0797 0.2005
Mycobacterium tuberculosis Conserved protein 0.0037 0.0812 0.0676
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.2587
Schistosoma mansoni hypothetical protein 0.0056 0.166 0.2222
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0812 0.34
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0812 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0037 0.0797 0.254
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0812 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0812 1
Trichomonas vaginalis esterase, putative 0.0037 0.0812 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0037 0.0797 0.1067
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0146 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0037 0.0797 0.2005
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0037 0.0797 0.1067
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0812 0.0676
Loa Loa (eye worm) hypothetical protein 0.0037 0.0797 0.254
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0037 0.0797 0.254
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0037 0.0797 0.1067
Echinococcus granulosus geminin 0.0183 0.7473 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.5069 0.6783
Echinococcus granulosus FTZ F1 alpha 0.0037 0.0797 0.1067
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0812 0.0676
Schistosoma mansoni jun-related protein 0.0074 0.2476 0.3314
Schistosoma mansoni thyroid hormone receptor 0.0167 0.6759 0.9045
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0812 0.0676
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Loa Loa (eye worm) hypothetical protein 0.0037 0.0797 0.254
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0797 0.1067
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0037 0.0797 0.2451
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.2105 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Loa Loa (eye worm) hypothetical protein 0.0037 0.0797 0.254
Echinococcus multilocularis FTZ F1 alpha 0.0037 0.0797 0.1067
Brugia malayi beta-lactamase family protein 0.0037 0.0812 0.2496
Echinococcus granulosus jun protein 0.0091 0.3253 0.4353
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0146 0.0195
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0797 0.1067
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0037 0.0797 0.1067
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0812 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0037 0.0797 0.254
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0037 0.0797 0.254
Onchocerca volvulus 0.0037 0.0797 0.2005
Loa Loa (eye worm) hypothetical protein 0.0088 0.3139 1
Schistosoma mansoni hypothetical protein 0.0183 0.7473 1
Leishmania major hypothetical protein, conserved 0.0037 0.0812 0.34
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0037 0.0797 0.1067
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0812 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.2105 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0797 0.254
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0797 0.1067
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0146 0.0195
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0797 0.1067
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0812 0.0676
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.0797 0.2451
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.2105 0.2817
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0037 0.0797 0.2451
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0146 0.0465
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0812 1
Brugia malayi nuclear hormone receptor 0.0037 0.0797 0.2451
Brugia malayi hypothetical protein 0.0028 0.0405 0.1245
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.2587
Brugia malayi steroid hormone receptor 0.0037 0.0797 0.2451
Mycobacterium ulcerans beta-lactamase 0.0037 0.0812 0.34
Echinococcus granulosus ecdysone induced protein 78C 0.0037 0.0797 0.1067
Mycobacterium ulcerans lipase LipD 0.0037 0.0812 0.34
Brugia malayi Steroid receptor seven-up type 2 0.0037 0.0797 0.2451
Echinococcus multilocularis geminin 0.0183 0.7473 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0812 0.2496
Brugia malayi hypothetical protein 0.0071 0.2363 0.7263
Schistosoma mansoni peroxidasin 0.0028 0.0405 0.0542
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0812 0.1087
Schistosoma mansoni coup transcription factor 0.0037 0.0797 0.1067
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0037 0.0797 0.1067
Schistosoma mansoni RAR-like nuclear receptor 0.0037 0.0797 0.1067
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0812 0.0676
Onchocerca volvulus 0.0071 0.2363 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.0797 0.2451
Loa Loa (eye worm) animal heme peroxidase 0.0028 0.0405 0.129
Loa Loa (eye worm) hypothetical protein 0.0037 0.0797 0.254
Brugia malayi beta-lactamase family protein 0.0037 0.0812 0.2496
Schistosoma mansoni thyroid hormone receptor 0.0167 0.6759 0.9045
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0812 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Toxoplasma gondii ABC1 family protein 0.0037 0.0812 0.34
Echinococcus multilocularis jun protein 0.0091 0.3253 0.4353
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.2105 0.1988
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0037 0.0797 0.2451
Loa Loa (eye worm) hypothetical protein 0.0037 0.0812 0.2587
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0037 0.0797 0.1067
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129
Loa Loa (eye worm) steroid hormone receptor 0.0037 0.0797 0.254
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0037 0.0797 0.1067
Onchocerca volvulus 0.0037 0.0812 0.2079
Schistosoma mansoni peroxidasin 0.0028 0.0405 0.0542
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0037 0.0797 0.254
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0812 0.34
Schistosoma mansoni ap endonuclease 0.0023 0.0146 0.0195
Mycobacterium tuberculosis Conserved protein 0.0037 0.0812 0.0676
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.0797 0.2451
Echinococcus multilocularis peroxidasin 0.0028 0.0405 0.0542
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0037 0.0797 0.254
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0037 0.0797 0.1067
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0812 0.1087
Loa Loa (eye worm) hypothetical protein 0.0028 0.0405 0.129

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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