Detailed information for compound 1432632

Basic information

Technical information
  • TDR Targets ID: 1432632
  • Name: N-[1-[2-[(2-chlorophenyl)amino]-2-oxoethyl]pi peridin-4-yl]-3-methylbenzamide
  • MW: 385.887 | Formula: C21H24ClN3O2
  • H donors: 2 H acceptors: 2 LogP: 3.69 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1Cl)CN1CCC(CC1)NC(=O)c1cccc(c1)C
  • InChi: 1S/C21H24ClN3O2/c1-15-5-4-6-16(13-15)21(27)23-17-9-11-25(12-10-17)14-20(26)24-19-8-3-2-7-18(19)22/h2-8,13,17H,9-12,14H2,1H3,(H,23,27)(H,24,26)
  • InChiKey: XFZHGLGVKSCEBI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[1-[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-4-piperidyl]-3-methyl-benzamide
  • N-[1-[2-[(2-chlorophenyl)amino]-2-oxoethyl]-4-piperidinyl]-3-methylbenzamide
  • N-[1-[2-[(2-chlorophenyl)amino]-2-keto-ethyl]-4-piperidyl]-3-methyl-benzamide
  • N-[1-[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]piperidin-4-yl]-3-methyl-benzamide
  • ASN 06462218
  • N-{1-[(2-Chloro-phenylcarbamoyl)-methyl]-piperidin-4-yl}-3-methyl-benzamide
  • MLS001205525
  • SMR000503872

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0103 0.5272 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0103 0.5272 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0103 0.5272 1
Echinococcus granulosus neuropeptide Y receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0576 0.1093
Echinococcus multilocularis dro:myosuppressin receptor 0.0103 0.5272 1
Echinococcus granulosus tm gpcr rhodopsin 0.0103 0.5272 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0042 0.1736 0.2686
Brugia malayi hypothetical protein 0.0103 0.5272 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0103 0.5272 1
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.2 0.3794
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0103 0.5272 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0103 0.5272 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0103 0.5272 1
Loa Loa (eye worm) neuropeptide F receptor 0.0103 0.5272 1
Schistosoma mansoni RAR-like nuclear receptor 0.0042 0.1736 0.3293
Schistosoma mansoni amine GPCR 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Onchocerca volvulus 0.0103 0.5272 1
Schistosoma mansoni amine GPCR 0.0103 0.5272 1
Echinococcus granulosus sex peptide receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1736 0.3293
Schistosoma mansoni thyroid hormone receptor 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1442 0.2735
Echinococcus granulosus rhodopsin orphan GPCR 0.0103 0.5272 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0042 0.1736 0.3293
Echinococcus granulosus tm gpcr rhodopsin 0.0103 0.5272 1
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.0802 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0576 0.1093
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.002 0.0437 0.0829
Echinococcus multilocularis neuropeptide Y receptor 0.0103 0.5272 1
Brugia malayi nuclear receptor NHR-88 0.0042 0.1736 0.3293
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0103 0.5272 1
Echinococcus granulosus somatostatin receptor 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0103 0.5272 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0042 0.1736 0.3293
Schistosoma mansoni opsin-like receptor 0.0103 0.5272 1
Echinococcus granulosus FTZ F1 alpha 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi Nuclear hormone receptor E75 0.002 0.0437 0.0829
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0103 0.5272 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0103 0.5272 1
Brugia malayi neuropeptide F receptor 0.0103 0.5272 1
Schistosoma mansoni neuropeptide F-like receptor 0.0103 0.5272 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.0802 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0802 0.1521
Echinococcus granulosus g-protein coupled receptor 0.0103 0.5272 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0042 0.1736 0.3293
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0042 0.1736 0.3293
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0042 0.1736 0.3293
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.002 0.0437 0.0829
Schistosoma mansoni neuropeptide receptor 0.0103 0.5272 1
Brugia malayi G protein-coupled receptor 0.0103 0.5272 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0103 0.5272 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0103 0.5272 1
Plasmodium falciparum ornithine aminotransferase 0.0026 0.0802 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0103 0.5272 1
Echinococcus granulosus G protein coupled receptor 139 0.0103 0.5272 1
Schistosoma mansoni neuropeptide receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus granulosus allatostatin A receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni nuclear hormone receptor 0.0042 0.1736 0.3293
Echinococcus granulosus g protein coupled receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.0802 0.1521
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 1 1
Echinococcus granulosus ornithine aminotransferase 0.0026 0.0802 0.1521
Echinococcus multilocularis orexin receptor type 2 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Echinococcus multilocularis rhodopsin orphan GPCR 0.0103 0.5272 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0103 0.5272 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0103 0.5272 1
Schistosoma mansoni nuclear hormone receptor 0.002 0.0437 0.0829
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.1736 0.3293
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.1736 0.3293
Onchocerca volvulus 0.0103 0.5272 1
Echinococcus multilocularis neuropeptide receptor 0.0103 0.5272 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0103 0.5272 1
Brugia malayi nuclear hormone receptor 0.0042 0.1736 0.3293
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0103 0.5272 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi orphan nuclear receptor NR2E1 0.002 0.0437 0.0829
Onchocerca volvulus 0.0103 0.5272 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0103 0.5272 1
Echinococcus multilocularis neuropeptide receptor A26 0.0103 0.5272 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0103 0.5272 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Echinococcus granulosus dro:myosuppressin receptor 0.0103 0.5272 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0022 0.0576 0.1093
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1736 0.3293
Schistosoma mansoni amine GPCR 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis fmrfamide receptor 0.0103 0.5272 1
Echinococcus granulosus thyroid hormone receptor alpha 0.002 0.0437 0.0829
Brugia malayi Steroid receptor seven-up type 2 0.0042 0.1736 0.3293
Brugia malayi G-protein coupled receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Echinococcus granulosus g protein coupled receptor 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.0103 0.5272 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0042 0.1736 0.3293
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus granulosus neuropeptide receptor A26 0.0103 0.5272 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.002 0.0437 0.0829
Echinococcus multilocularis rhodopsin orphan GPCR 0.0103 0.5272 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0437 0.0829
Brugia malayi RE15519p 0.0103 0.5272 1
Brugia malayi ecdysone receptor 0.002 0.0437 0.0829
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.002 0.0437 0.0829
Schistosoma mansoni neuropeptide F-like receptor 0.0103 0.5272 1
Brugia malayi G-protein coupled receptor 0.0103 0.5272 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0103 0.5272 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0022 0.0576 0.1093
Brugia malayi hypothetical protein 0.002 0.0437 0.0829
Loa Loa (eye worm) G-protein coupled receptor 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0042 0.1736 0.3293
Echinococcus multilocularis rhodopsin orphan GPCR 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.0022 0.0576 0.1093
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0042 0.1736 0.3293
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0103 0.5272 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0042 0.1736 0.3293
Brugia malayi ORL1-like opioid receptor 0.0103 0.5272 1
Schistosoma mansoni nuclear receptor 0.002 0.0437 0.0829
Echinococcus multilocularis neuropeptide FF receptor 2 0.0103 0.5272 1
Onchocerca volvulus 0.0042 0.1736 0.2686
Brugia malayi Serotonin receptor 0.0103 0.5272 1
Echinococcus multilocularis neuropeptide s receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi Nuclear hormone receptor-like 1 0.0042 0.1736 0.3293
Echinococcus granulosus neuropeptide Y receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni nuclear receptor nhr-48 0.002 0.0437 0.0829
Brugia malayi Nuclear hormone receptor E75 0.002 0.0437 0.0829
Onchocerca volvulus 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi Dopamine receptor protein 1 0.0103 0.5272 1
Echinococcus multilocularis FTZ F1 alpha 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Echinococcus granulosus fmrfamide receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi ecdysteroid receptor 0.0042 0.1736 0.3293
Echinococcus multilocularis sex peptide receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0103 0.5272 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0103 0.5272 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0042 0.1736 0.3293
Brugia malayi sulfakinin receptor protein 0.0103 0.5272 1
Brugia malayi nuclear receptor RXR 0.0022 0.0576 0.1093
Echinococcus granulosus g protein coupled receptor 0.0103 0.5272 1
Schistosoma mansoni amine GPCR 0.0103 0.5272 1
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0576 0.1093
Brugia malayi hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0103 0.5272 1
Echinococcus granulosus neuropeptide receptor 0.0103 0.5272 1
Schistosoma mansoni myosin xvIII 0.0103 0.5272 1
Brugia malayi Serotonin receptor 0.0103 0.5272 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.0103 0.5272 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.1736 0.3293
Brugia malayi larval opioid receptor 0.0103 0.5272 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0103 0.5272 1
Echinococcus multilocularis Aminotransferase class III 0.0026 0.0802 0.1521
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.1736 0.3293
Echinococcus granulosus nuclear receptor nhr 48 0.002 0.0437 0.0829
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0103 0.5272 1
Schistosoma mansoni nuclear receptor 0.002 0.0437 0.0829
Brugia malayi putative neuropeptide receptor 0.0103 0.5272 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0022 0.0576 0.1093
Echinococcus granulosus neuropeptide receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1736 0.3293
Echinococcus granulosus neuropeptide FF receptor 2 0.0103 0.5272 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0103 0.5272 1
Mycobacterium tuberculosis Probable aminotransferase 0.0184 1 1
Schistosoma mansoni coup transcription factor 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni neuropeptide receptor 0.0103 0.5272 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0042 0.1736 0.3293
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.002 0.0437 0.0829
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.1736 0.3293
Brugia malayi G protein-coupled receptor F59B2.13 0.0103 0.5272 1
Echinococcus granulosus serotonin receptor 0.0103 0.5272 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0103 0.5272 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0042 0.1736 0.3293
Echinococcus multilocularis g protein coupled receptor 0.0103 0.5272 1
Echinococcus multilocularis g protein coupled receptor 0.0103 0.5272 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0437 0.0829
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.1771 0.3359
Brugia malayi steroid hormone receptor 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Schistosoma mansoni biogenic amine receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1736 0.3293
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0042 0.1736 0.3293
Loa Loa (eye worm) melatonin receptor type 1A 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0042 0.1736 0.2686
Onchocerca volvulus 0.0103 0.5272 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0103 0.5272 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.0802 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi Dopamine receptor 0.0103 0.5272 1
Echinococcus multilocularis fmrfamide receptor 0.0103 0.5272 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0103 0.5272 1
Echinococcus granulosus ecdysone induced protein 78C 0.0042 0.1736 0.3293
Onchocerca volvulus Bile acid receptor homolog 0.0042 0.1736 0.2686
Schistosoma mansoni amine GPCR 0.0103 0.5272 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.002 0.0437 0.0829
Echinococcus multilocularis somatostatin receptor 0.0103 0.5272 1
Echinococcus granulosus Aminotransferase class III 0.0026 0.0802 0.1521
Echinococcus granulosus rhodopsin orphan GPCR 0.0103 0.5272 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0103 0.5272 1
Echinococcus multilocularis serotonin receptor 0.0103 0.5272 1
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.2 0.3794
Schistosoma mansoni adenoreceptor 0.0103 0.5272 1
Loa Loa (eye worm) G-protein coupled receptor 0.0103 0.5272 1
Schistosoma mansoni retinoic acid receptor RXR 0.0042 0.1736 0.3293
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0042 0.1736 0.3293
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0103 0.5272 1
Brugia malayi follicle stimulating hormone receptor 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.0022 0.0576 0.1093
Brugia malayi AKH receptor 0.0103 0.5272 1
Echinococcus granulosus hypothetical protein 0.0103 0.5272 1
Brugia malayi Dopamine receptor protein 2 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis g protein coupled receptor 0.0103 0.5272 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0042 0.1736 0.3293
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0103 0.5272 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0103 0.5272 1
Brugia malayi nuclear receptor RXR 0.002 0.0437 0.0829
Brugia malayi putative neuropeptide receptor NPR1 0.0103 0.5272 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.002 0.0437 0.0829
Loa Loa (eye worm) hypothetical protein 0.0022 0.0576 0.1093
Echinococcus multilocularis rhodopsin orphan GPCR 0.0103 0.5272 1
Loa Loa (eye worm) DR-78 0.002 0.0437 0.0829
Echinococcus multilocularis allatostatin A receptor 0.0103 0.5272 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0103 0.5272 1
Brugia malayi neuropeptide F receptor 0.0103 0.5272 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0103 0.5272 1
Loa Loa (eye worm) nuclear hormone receptor 0.002 0.0437 0.0829
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.0802 0.1521
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0576 0.1093
Schistosoma mansoni nuclear hormone receptor 0.002 0.0437 0.0829
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0103 0.5272 1
Mycobacterium ulcerans hypothetical protein 0.0184 1 1
Echinococcus multilocularis neuropeptide receptor 0.0103 0.5272 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0103 0.5272 1
Echinococcus granulosus orexin receptor type 2 0.0103 0.5272 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.1771 0.3359
Schistosoma mansoni thyroid hormone receptor 0.0042 0.1736 0.3293
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.0802 0.1521
Schistosoma mansoni zinc finger protein 0.002 0.0437 0.0829
Echinococcus granulosus rhodopsin orphan GPCR 0.0103 0.5272 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0103 0.5272 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0042 0.1736 0.3293
Schistosoma mansoni hypothetical protein 0.0103 0.5272 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0103 0.5272 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Brugia malayi tailless protein 0.002 0.0437 0.0829
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.1771 0.3359
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni neuropeptide receptor 0.0103 0.5272 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0103 0.5272 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0042 0.1736 0.3293
Loa Loa (eye worm) steroid hormone receptor 0.0042 0.1736 0.3293
Echinococcus granulosus neuropeptides capa receptor 0.0103 0.5272 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0042 0.1736 0.3293
Schistosoma mansoni neuropeptide f receptor 76f 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0103 0.5272 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.002 0.0437 0.0829
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0103 0.5272 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0042 0.1736 0.3293
Echinococcus multilocularis neuropeptide Y receptor 0.0103 0.5272 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0103 0.5272 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.1736 0.3293
Schistosoma mansoni biogenic amine (5HT) receptor 0.0103 0.5272 1
Echinococcus multilocularis g-protein coupled receptor 0.0103 0.5272 1
Echinococcus multilocularis nuclear receptor nhr 48 0.002 0.0437 0.0829
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni histamine h1 receptor 0.0103 0.5272 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0042 0.1736 0.3293
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.1736 0.3293
Echinococcus multilocularis Nuclear hormone receptor HR96 0.002 0.0437 0.0829
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0103 0.5272 1
Loa Loa (eye worm) TYRA-2 protein 0.0103 0.5272 1
Schistosoma mansoni biogenic amine receptor 0.0103 0.5272 1
Brugia malayi Melatonin receptor type 1A 0.0103 0.5272 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Onchocerca volvulus 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0103 0.5272 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1736 0.3293
Echinococcus granulosus 7TM GPCR rhodopsin 0.0103 0.5272 1
Schistosoma mansoni biogenic amine receptor 0.0103 0.5272 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.1736 0.3293
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0103 0.5272 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.1771 0.3359
Echinococcus granulosus neuropeptides capa receptor 0.0103 0.5272 1
Echinococcus granulosus tm gpcr rhodopsin 0.0103 0.5272 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0103 0.5272 1
Brugia malayi conserved hypotetical protein 0.002 0.0437 0.0829
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0103 0.5272 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.1736 0.3293
Schistosoma mansoni hypothetical protein 0.0103 0.5272 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0042 0.1736 0.3293
Loa Loa (eye worm) neuropeptide F receptor 0.0103 0.5272 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0042 0.1736 0.3293
Echinococcus granulosus Nuclear hormone receptor HR96 0.002 0.0437 0.0829
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0103 0.5272 1
Brugia malayi nuclear hormone receptor family member odr-7 0.002 0.0437 0.0829
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0103 0.5272 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0103 0.5272 1
Echinococcus multilocularis neuropeptides capa receptor 0.0103 0.5272 1
Schistosoma mansoni hypothetical protein 0.0103 0.5272 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.002 0.0437 0.0829
Echinococcus granulosus neuropeptide s receptor 0.0103 0.5272 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0103 0.5272 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0103 0.5272 1
Schistosoma mansoni opsin-like receptor 0.0103 0.5272 1
Brugia malayi nuclear hormone receptor 0.002 0.0437 0.0829
Loa Loa (eye worm) nuclear receptor nhr-7B 0.002 0.0437 0.0829
Brugia malayi nuclear receptor NHR-88 0.002 0.0437 0.0829
Brugia malayi GnHR receptor homolog 0.0103 0.5272 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0042 0.1736 0.3293
Echinococcus multilocularis Nuclear hormone receptor HR96 0.002 0.0437 0.0829
Schistosoma mansoni hypothetical protein 0.0103 0.5272 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0022 0.0576 0.1093
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.5272 1
Onchocerca volvulus 0.0103 0.5272 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0576 0.1093
Echinococcus multilocularis serotonin receptor 0.0103 0.5272 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0103 0.5272 1
Echinococcus multilocularis G protein coupled receptor 139 0.0103 0.5272 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0042 0.1736 0.3293
Schistosoma mansoni opsin-like receptor 0.0103 0.5272 1
Brugia malayi hypothetical protein 0.002 0.0437 0.0829
Echinococcus multilocularis ecdysone induced protein 78C 0.0042 0.1736 0.3293
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0103 0.5272 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.0802 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0437 0.0829
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0103 0.5272 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0576 0.1093
Brugia malayi nuclear receptor NHR-67 0.002 0.0437 0.0829
Loa Loa (eye worm) hypothetical protein 0.0022 0.0576 0.1093

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 1.04 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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