Detailed information for compound 1725793

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 492.572 | Formula: C29H28N6O2
  • H donors: 2 H acceptors: 5 LogP: 3.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C1CCN(CC1)C(=O)c1ccc(c(c1)c1nc2c([nH]1)cnc(c2)N1CC(C1)O)C
  • InChi: 1S/C29H28N6O2/c1-18-2-5-22(29(37)34-10-8-21(9-11-34)20-6-3-19(14-30)4-7-20)12-24(18)28-32-25-13-27(31-15-26(25)33-28)35-16-23(36)17-35/h2-7,12-13,15,21,23,36H,8-11,16-17H2,1H3,(H,32,33)
  • InChiKey: QSWWKRBOCUUOTP-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fatty acid synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 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
Neospora caninum Short-chain dehydrogenase/reductase SDR, related 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 Phenolpthiocerol synthesis type-I polyketide synthase PpsC 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
Toxoplasma gondii type I fatty acid synthase, putative 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 ulcerans polyketide synthase Pks9 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
Cryptosporidium parvum type I 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 Probable polyketide synthase Pks15 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 leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 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 Pks9 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 phenolpthiocerol synthesis type-I polyketide synthase PpsC 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 Probable polyketide synthase Pks5 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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 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
Loa Loa (eye worm) hypothetical protein 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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 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
Mycobacterium tuberculosis 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
Onchocerca volvulus 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
Loa Loa (eye worm) fatty acid synthase 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 leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 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 ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 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
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 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
Loa Loa (eye worm) hypothetical protein 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 Polyketide synthase Pks12 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 Phenolpthiocerol synthesis type-I polyketide synthase PpsE 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 tuberculosis Probable membrane bound polyketide synthase Pks6 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
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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum 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
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 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
Mycobacterium tuberculosis Polyketide synthase Pks2 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 leprae Polyketide synthase Pks13 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
Mycobacterium ulcerans Type I modular polyketide synthase 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) neuropeptide F receptor 0.0016 0.1371 0.0583
Schistosoma mansoni hypothetical protein 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3922 0.3889
Echinococcus multilocularis g protein coupled receptor 0.0016 0.1371 0.5
Mycobacterium ulcerans polyketide synthase 0.003 0.4337 0.581
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.4337 0.581
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0016 0.1371 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0016 0.1371 0.5
Echinococcus multilocularis fmrfamide receptor 0.0016 0.1371 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.4337 0.581
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0016 0.1371 0.0583
Loa Loa (eye worm) TYRA-2 protein 0.0016 0.1371 0.0583
Loa Loa (eye worm) G-protein coupled receptor 0.0016 0.1371 0.0583
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0016 0.1371 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.3185 0.4267
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Mycobacterium ulcerans polyketide synthase 0.0032 0.473 0.6337
Echinococcus granulosus neuropeptide Y receptor 0.0016 0.1371 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.1371 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0016 0.1371 0.0583
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0016 0.1371 0.5
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0188 0.0251
Schistosoma mansoni neuropeptide F-like receptor 0.0016 0.1371 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0016 0.1371 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.3102 0.4155
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1371 0.5
Echinococcus multilocularis neuropeptide receptor 0.0016 0.1371 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.1371 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0016 0.1371 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.3102 0.4155
Schistosoma mansoni amine GPCR 0.0016 0.1371 0.5
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.473 0.6337
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis neuropeptide receptor A26 0.0016 0.1371 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0016 0.1371 0.5
Onchocerca volvulus 0.0052 0.9021 0.9512
Echinococcus multilocularis G-protein coupled receptor, putative 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2515 0.3708
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus granulosus biogenic amine 5HT receptor 0.0016 0.1371 0.5
Echinococcus multilocularis somatostatin receptor 0.0016 0.1371 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.1371 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4337 0.581
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0016 0.1371 0.0583
Loa Loa (eye worm) hypothetical protein 0.0017 0.1557 0.0823
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0016 0.1371 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.4337 0.581
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0016 0.1371 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1609 0.2155
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.7465 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0016 0.1371 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0016 0.1371 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1371 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.1371 0.5
Echinococcus granulosus neuropeptide receptor 0.0016 0.1371 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Schistosoma mansoni biogenic amine receptor 0.0016 0.1371 0.5
Schistosoma mansoni neuropeptide receptor 0.0016 0.1371 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0016 0.1371 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0016 0.1371 0.5
Schistosoma mansoni opsin-like receptor 0.0016 0.1371 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0016 0.1371 0.5
Schistosoma mansoni adenoreceptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1371 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0016 0.1371 0.0583
Brugia malayi AMP-binding enzyme family protein 0.0028 0.3922 0.2956
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.1371 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0016 0.1371 0.5
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.473 0.6337
Schistosoma mansoni biogenic amine receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Schistosoma mansoni hypothetical protein 0.0016 0.1371 0.5
Echinococcus granulosus neuropeptide s receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Schistosoma mansoni opsin-like receptor 0.0016 0.1371 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1371 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0016 0.1371 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.1371 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0016 0.1371 0.5
Echinococcus granulosus g protein coupled receptor 0.0016 0.1371 0.5
Echinococcus granulosus fmrfamide receptor 0.0016 0.1371 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0016 0.1371 0.5
Echinococcus granulosus orexin receptor type 2 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.473 0.6337
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0016 0.1371 0.5
Echinococcus granulosus serotonin receptor 0.0016 0.1371 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) fatty acid synthase 0.003 0.4253 0.4318
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0016 0.1371 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2556 0.3424
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4337 0.581
Schistosoma mansoni amine GPCR 0.0016 0.1371 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.1371 0.5
Echinococcus multilocularis serotonin receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0571 0.0765
Echinococcus granulosus neuropeptide receptor A26 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.1371 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.1371 0.5
Mycobacterium ulcerans thioesterase 0.0025 0.3283 0.4398
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis dro:myosuppressin receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Schistosoma mansoni amine GPCR 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.1371 0.5
Schistosoma mansoni myosin xvIII 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus granulosus g protein coupled receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0016 0.1371 0.0583
Schistosoma mansoni neuropeptide receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.1371 0.5
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.3283 0.4398
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.3283 0.4398
Echinococcus multilocularis neuropeptide FF receptor 2 0.0016 0.1371 0.5
Schistosoma mansoni neuropeptide receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis allatostatin A receptor 0.0016 0.1371 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0016 0.1371 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0016 0.1371 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.1371 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0016 0.1371 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.1371 0.5
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.2195 0.2941
Echinococcus multilocularis sex peptide receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis g protein coupled receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.2116 0.2574
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1371 0.5
Echinococcus granulosus somatostatin receptor 0.0016 0.1371 0.5
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.9413 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Schistosoma mansoni biogenic amine (5HT) receptor 0.0016 0.1371 0.5
Schistosoma mansoni neuropeptide receptor 0.0016 0.1371 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.473 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0016 0.1371 0.5
Onchocerca volvulus 0.0028 0.3922 0.3172
Echinococcus granulosus G protein coupled receptor 139 0.0016 0.1371 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0016 0.1371 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0016 0.1371 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0016 0.1371 0.5
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3922 0.5254
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis neuropeptide receptor 0.0016 0.1371 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1371 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0016 0.1371 0.5
Schistosoma mansoni amine GPCR 0.0016 0.1371 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0016 0.1371 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.1371 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0016 0.1371 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.473 0.6337
Loa Loa (eye worm) hypothetical protein 0.0051 0.8637 1
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.473 0.6337
Echinococcus multilocularis neuropeptide s receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Mycobacterium ulcerans thioesterase TesA 0.0025 0.3283 0.4398
Echinococcus granulosus hypothetical protein 0.0016 0.1371 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.2195 0.2941
Echinococcus granulosus neuropeptide receptor 0.0016 0.1371 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis serotonin receptor 0.0016 0.1371 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0016 0.1371 0.5
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.4144 0.5551
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus granulosus biogenic amine 5HT receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0016 0.1371 0.0583
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.1371 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.1371 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0016 0.1371 0.5
Schistosoma mansoni biogenic amine receptor 0.0016 0.1371 0.5
Echinococcus granulosus sex peptide receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus granulosus 7TM GPCR rhodopsin 0.0016 0.1371 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0016 0.1371 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0016 0.1371 0.5
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.4337 0.3438
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis g protein coupled receptor 0.0016 0.1371 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0016 0.1371 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0016 0.1371 0.5
Schistosoma mansoni amine GPCR 0.0016 0.1371 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0016 0.1371 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.4337 0.581
Echinococcus multilocularis g-protein coupled receptor 0.0016 0.1371 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.3102 0.4155
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis fmrfamide receptor 0.0016 0.1371 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0016 0.1371 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0016 0.1371 0.5
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.7465 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.7465 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.473 0.6337
Echinococcus granulosus neuropeptides capa receptor 0.0016 0.1371 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0016 0.1371 0.5
Echinococcus multilocularis orexin receptor type 2 0.0016 0.1371 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.1371 0.5
Schistosoma mansoni histamine h1 receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0016 0.1371 0.5
Schistosoma mansoni opsin-like receptor 0.0016 0.1371 0.5
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.7465 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.4144 0.5551
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0016 0.1371 0.0583
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.473 0.6337
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Echinococcus granulosus allatostatin A receptor 0.0016 0.1371 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0016 0.1371 0.5
Echinococcus granulosus g protein coupled receptor 0.0016 0.1371 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0016 0.1371 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.1371 0.0583
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.473 0.6337
Loa Loa (eye worm) G-protein coupled receptor 0.0016 0.1371 0.0583
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0016 0.1371 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0016 0.1371 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0016 0.1371 0.5
Echinococcus granulosus g-protein coupled receptor 0.0016 0.1371 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.2195 0.2941

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 300 nM BindingDB_Patents: Biochemical Assay. The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FASN comprises about 25% of the cytosolic proteins in this cell line. SKBr3 cells were homogenized in a dounce homogenizer then centrifuged for 15 minutes at 4C. to remove particulate matter. The supernatant was then analyzed for protein content, diluted to the appropriate concentration, and used to measure FASN activity. The presence of FASN was confirmed by western blot analysis. A similar method for isolation of FASN from SKBr3 cells is described in Teresa, P. et al. (Clin. Cancer Res. 2009; 15(24), 7608-7615).FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) released during the fatty acid synthase reaction. The dye CPM (7-diethylamino-3-(4â-maleimidyl-phenyl)-4-methylcoumarin) contains a thiol reactive group that increases its fluorescence emission. ChEMBL. No reference
IC50 (binding) = 0.3 uM Inhibition of human FASN assessed as release of co-enzyme A ChEMBL. 24900571
IC50 (binding) = 31 uM Inhibition of rat FASN assessed as release of co-enzyme A ChEMBL. 24900571

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

1 literature reference was collected for this gene.

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