Detailed information for compound 1480907

Basic information

Technical information
  • TDR Targets ID: 1480907
  • Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-nit robenzoate
  • MW: 369.371 | Formula: C19H19N3O5
  • H donors: 0 H acceptors: 4 LogP: 2.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccccc1)COC(=O)c1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C19H19N3O5/c23-18(14-27-19(24)15-5-4-8-17(13-15)22(25)26)21-11-9-20(10-12-21)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2
  • InChiKey: YHURSMCKRAMYSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-nitrobenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester
  • 3-nitrobenzoic acid [2-keto-2-(4-phenylpiperazin-1-yl)ethyl] ester
  • ZINC05672934

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fatty acid synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Brugia malayi neuropeptide F receptor 0.0051 0.8683 0.7833
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni biogenic amine receptor 0.0051 0.8683 0.5
Brugia malayi hypothetical protein 0.0051 0.8683 0.7833
Brugia malayi G-protein coupled receptor 0.0051 0.8683 0.7833
Echinococcus granulosus dro:myosuppressin receptor 0.0051 0.8683 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.473 0.6337
Onchocerca volvulus 0.0051 0.8683 0.867
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.3283 0.4398
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0051 0.8683 0.5
Brugia malayi G protein-coupled receptor 0.0051 0.8683 0.7833
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.2195 0.2941
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0051 0.8683 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0051 0.8683 0.5
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.4337 0.0684
Schistosoma mansoni amine GPCR 0.0051 0.8683 0.5
Schistosoma mansoni opsin-like receptor 0.0051 0.8683 0.5
Brugia malayi larval opioid receptor 0.0051 0.8683 0.7833
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.3102 0.4155
Loa Loa (eye worm) TYRA-2 protein 0.0051 0.8683 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.8683 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0051 0.8683 0.867
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0051 0.8683 0.5
Schistosoma mansoni hypothetical protein 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni hypothetical protein 0.0051 0.8683 0.5
Echinococcus granulosus allatostatin A receptor 0.0051 0.8683 0.5
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.9413 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0051 0.8683 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0051 0.8683 0.5
Mycobacterium ulcerans thioesterase TesA 0.0025 0.3283 0.4398
Schistosoma mansoni neuropeptide receptor 0.0051 0.8683 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0051 0.8683 0.5
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3922 0.5254
Echinococcus multilocularis g protein coupled receptor 0.0051 0.8683 0.5
Echinococcus multilocularis g protein coupled receptor 0.0051 0.8683 0.5
Brugia malayi follicle stimulating hormone receptor 0.0051 0.8683 0.7833
Echinococcus granulosus tm gpcr rhodopsin 0.0051 0.8683 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0051 0.8683 0.5
Echinococcus multilocularis neuropeptide receptor 0.0051 0.8683 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Brugia malayi neuropeptide F receptor 0.0051 0.8683 0.7833
Brugia malayi Dopamine receptor 0.0051 0.8683 0.7833
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni myosin xvIII 0.0051 0.8683 0.5
Brugia malayi hypothetical protein 0.0051 0.8683 0.7833
Echinococcus multilocularis neuropeptide FF receptor 2 0.0051 0.8683 0.5
Schistosoma mansoni biogenic amine receptor 0.0051 0.8683 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0051 0.8683 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0051 0.8683 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0051 0.8683 0.5
Brugia malayi Serotonin receptor 0.0051 0.8683 0.7833
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.7465 1
Mycobacterium ulcerans polyketide synthase 0.003 0.4337 0.581
Onchocerca volvulus 0.0051 0.8683 0.867
Onchocerca volvulus 0.0051 0.8683 0.867
Echinococcus multilocularis fmrfamide receptor 0.0051 0.8683 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.2195 0.2941
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Echinococcus multilocularis sex peptide receptor 0.0051 0.8683 0.5
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.473 0.6337
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.8683 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0051 0.8683 0.5
Loa Loa (eye worm) fatty acid synthase 0.003 0.4253 0.4293
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4337 0.581
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0051 0.8683 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0051 0.8683 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.8683 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0051 0.8683 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0051 0.8683 0.5
Brugia malayi RE15519p 0.0051 0.8683 0.7833
Loa Loa (eye worm) neuropeptide F receptor 0.0051 0.8683 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0051 0.8683 0.7833
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0051 0.8683 0.5
Onchocerca volvulus 0.0051 0.8683 0.867
Brugia malayi hypothetical protein 0.0051 0.8683 0.7833
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0051 0.8683 0.7833
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3922 0.3866
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0051 0.8683 0.5
Brugia malayi GnHR receptor homolog 0.0051 0.8683 0.7833
Echinococcus granulosus fmrfamide receptor 0.0051 0.8683 0.5
Onchocerca volvulus 0.0051 0.8683 0.867
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Echinococcus granulosus neuropeptide Y receptor 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Onchocerca volvulus 0.0051 0.8683 0.867
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.473 0.6337
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.7465 1
Echinococcus multilocularis g-protein coupled receptor 0.0051 0.8683 0.5
Schistosoma mansoni neuropeptide receptor 0.0051 0.8683 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0051 0.8683 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Echinococcus multilocularis neuropeptide Y receptor 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Brugia malayi Dopamine receptor protein 1 0.0051 0.8683 0.7833
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0051 0.8683 0.5
Schistosoma mansoni amine GPCR 0.0051 0.8683 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Echinococcus multilocularis neuropeptide Y receptor 0.0051 0.8683 0.5
Schistosoma mansoni opsin-like receptor 0.0051 0.8683 0.5
Brugia malayi hypothetical protein 0.0051 0.8683 0.7833
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0051 0.8683 0.7833
Schistosoma mansoni opsin-like receptor 0.0051 0.8683 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0051 0.8683 0.5
Onchocerca volvulus 0.0051 0.8683 0.867
Brugia malayi hypothetical protein 0.0051 0.8683 0.7833
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0051 0.8683 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.3102 0.4155
Onchocerca volvulus 0.0051 0.8683 0.867
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0051 0.8683 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0051 0.8683 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.8683 0.5
Schistosoma mansoni hypothetical protein 0.0051 0.8683 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.4144 0.5551
Echinococcus granulosus g protein coupled receptor 0.0051 0.8683 0.5
Brugia malayi Serotonin receptor 0.0051 0.8683 0.7833
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0051 0.8683 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.473 1
Onchocerca volvulus 0.0051 0.8683 0.867
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.4337 0.581
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0051 0.8683 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0051 0.8683 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0051 0.8683 0.5
Onchocerca volvulus 0.0051 0.8683 0.867
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0051 0.8683 0.7833
Schistosoma mansoni neuropeptide receptor 0.0051 0.8683 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.8683 0.5
Echinococcus granulosus g-protein coupled receptor 0.0051 0.8683 0.5
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.7465 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.8683 0.5
Echinococcus granulosus hypothetical protein 0.0051 0.8683 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0051 0.8683 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0051 0.8683 0.5
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.473 0.6337
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0051 0.8683 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0051 0.8683 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0051 0.8683 1
Brugia malayi hypothetical protein 0.0051 0.8683 0.7833
Schistosoma mansoni hypothetical protein 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0051 0.8683 0.5
Schistosoma mansoni biogenic amine receptor 0.0051 0.8683 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.8683 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2515 0.3708
Mycobacterium ulcerans thioesterase 0.0025 0.3283 0.4398
Onchocerca volvulus 0.0051 0.8683 0.867
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0051 0.8683 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0051 0.8683 0.5
Onchocerca volvulus 0.0051 0.8683 0.867
Loa Loa (eye worm) melatonin receptor type 1A 0.0051 0.8683 1
Echinococcus granulosus neuropeptides capa receptor 0.0051 0.8683 0.5
Echinococcus multilocularis g protein coupled receptor 0.0051 0.8683 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.8683 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.8683 0.5
Echinococcus multilocularis allatostatin A receptor 0.0051 0.8683 0.5
Schistosoma mansoni amine GPCR 0.0051 0.8683 0.5
Brugia malayi hypothetical protein 0.0051 0.8683 0.7833
Echinococcus granulosus tachykinin peptides receptor 99D 0.0051 0.8683 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.473 0.6337
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.8683 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.8683 0.5
Brugia malayi ORL1-like opioid receptor 0.0051 0.8683 0.7833
Echinococcus granulosus peptide allatostatin:somatostatin 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Echinococcus granulosus serotonin receptor 0.0051 0.8683 0.5
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0188 0.0251
Echinococcus multilocularis somatostatin receptor 0.0051 0.8683 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0051 0.8683 0.5
Echinococcus multilocularis fmrfamide receptor 0.0051 0.8683 0.5
Echinococcus granulosus somatostatin receptor 0.0051 0.8683 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.8683 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Echinococcus multilocularis neuropeptides capa receptor 0.0051 0.8683 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0051 0.8683 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1609 0.2155
Brugia malayi putative neuropeptide receptor NPR1 0.0051 0.8683 0.7833
Echinococcus granulosus g protein coupled receptor 0.0051 0.8683 0.5
Echinococcus multilocularis serotonin receptor 0.0051 0.8683 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0051 0.8683 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0051 0.8683 0.7833
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Brugia malayi hypothetical protein 0.0051 0.8683 0.7833
Brugia malayi Dopamine receptor protein 2 0.0051 0.8683 0.7833
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.7465 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.473 0.6337
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.8683 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0051 0.8683 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0051 0.8683 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.8683 0.5
Mycobacterium ulcerans polyketide synthase 0.0032 0.473 0.6337
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni adenoreceptor 0.0051 0.8683 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.2195 0.2941
Echinococcus granulosus 7tm_1 domain containing protein 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.8683 0.5
Brugia malayi sulfakinin receptor protein 0.0051 0.8683 0.7833
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Brugia malayi hypothetical protein 0.0051 0.8683 0.7833
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.3102 0.4155
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.8683 0.5
Onchocerca volvulus 0.0051 0.8683 0.867
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni neuropeptide receptor 0.0051 0.8683 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.4337 0.581
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.4337 0.581
Echinococcus granulosus alpha 1A adrenergic receptor 0.0051 0.8683 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0051 0.8683 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0051 0.8683 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4337 0.581
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.473 0.6337
Echinococcus granulosus neuropeptide Y receptor 0.0051 0.8683 0.5
Schistosoma mansoni amine GPCR 0.0051 0.8683 0.5
Echinococcus granulosus orexin receptor type 2 0.0051 0.8683 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0051 0.8683 0.867
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.8683 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0051 0.8683 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Brugia malayi Tachykinin-like peptides receptor 99D 0.0051 0.8683 0.7833
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.3185 0.4267
Brugia malayi G-protein coupled receptor 0.0051 0.8683 0.7833
Echinococcus granulosus 7TM GPCR rhodopsin 0.0051 0.8683 0.5
Brugia malayi hypothetical protein 0.0051 0.8683 0.7833
Brugia malayi Melatonin receptor type 1A 0.0051 0.8683 0.7833
Onchocerca volvulus 0.0051 0.8683 0.867
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0051 0.8683 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.4337 0.581
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0051 0.8683 0.5
Echinococcus multilocularis serotonin receptor 0.0051 0.8683 0.5
Echinococcus granulosus neuropeptide receptor 0.0051 0.8683 0.5
Onchocerca volvulus 0.0051 0.8683 0.867
Echinococcus multilocularis neuropeptide receptor 0.0051 0.8683 0.5
Schistosoma mansoni amine GPCR 0.0051 0.8683 0.5
Onchocerca volvulus 0.0051 0.8683 0.867
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Brugia malayi putative neuropeptide receptor 0.0051 0.8683 0.7833
Echinococcus granulosus neuropeptide receptor 0.0051 0.8683 0.5
Echinococcus multilocularis orexin receptor type 2 0.0051 0.8683 0.5
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.4144 0.5551
Echinococcus multilocularis G-protein coupled receptor, putative 0.0051 0.8683 0.5
Echinococcus granulosus sex peptide receptor 0.0051 0.8683 0.5
Onchocerca volvulus 0.0051 0.8683 0.867
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Onchocerca volvulus 0.0052 0.9021 0.9285
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.1557 0.0818
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Echinococcus granulosus neuropeptide s receptor 0.0051 0.8683 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0051 0.8683 0.7833
Echinococcus granulosus g protein coupled receptor 0.0051 0.8683 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0051 0.8683 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0051 0.8683 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0051 0.8683 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0571 0.0765
Schistosoma mansoni histamine h1 receptor 0.0051 0.8683 0.5
Brugia malayi AKH receptor 0.0051 0.8683 0.7833
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0051 0.8683 0.5
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.473 0.6337
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Echinococcus granulosus tm gpcr rhodopsin 0.0051 0.8683 0.5
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.2116 0.2574
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2556 0.3424
Loa Loa (eye worm) hypothetical protein 0.0051 0.8637 0.9941
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0051 0.8683 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0051 0.8683 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0051 0.8683 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8683 1
Loa Loa (eye worm) neuropeptide F receptor 0.0051 0.8683 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.3283 0.4398

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 7.7 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 11.9 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction: HTRF assay against cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.