Detailed information for compound 1430988

Basic information

Technical information
  • TDR Targets ID: 1430988
  • Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4- oxo-3-prop-2-enylquinazoline-7-carboxylic aci d
  • MW: 449.293 | Formula: C19H14BrFN2O3S
  • H donors: 1 H acceptors: 3 LogP: 4.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCc2ccc(cc2F)Br)nc2c(c1=O)ccc(c2)C(=O)O
  • InChi: 1S/C19H14BrFN2O3S/c1-2-7-23-17(24)14-6-4-11(18(25)26)8-16(14)22-19(23)27-10-12-3-5-13(20)9-15(12)21/h2-6,8-9H,1,7,10H2,(H,25,26)
  • InChiKey: YQRAVRPYKSGYFO-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-allyl-2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic acid
  • 3-allyl-2-[(4-bromo-2-fluorophenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid
  • 3-allyl-2-[(4-bromo-2-fluoro-benzyl)thio]-4-keto-quinazoline-7-carboxylic acid
  • 2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-oxo-3-prop-2-enyl-quinazoline-7-carboxylic acid
  • T5383030

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 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 PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans polyketide synthase 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 polyketide synthase 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
Neospora caninum Short-chain dehydrogenase/reductase SDR, related 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable polyketide synthase Pks9 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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 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 multifunctional mycocerosic acid synthase membrane-associated Mas 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
Onchocerca volvulus 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
Loa Loa (eye worm) fatty acid synthase 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
Onchocerca volvulus Fatty acid synthase homolog 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 ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 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 tuberculosis Probable polyketide synthase Pks7 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
Neospora caninum KR domain domain-containing protein, putative 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
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 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
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum 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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 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 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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 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
Loa Loa (eye worm) hypothetical protein 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 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
Loa Loa (eye worm) acyl carrier 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 Pks13 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 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 Pks1 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium hominis 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
Cryptosporidium hominis hypothetical protein 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
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Serotonin receptor 0.002 0.2087 0.0241
Brugia malayi neuropeptide F receptor 0.002 0.2087 0.0241
Brugia malayi Melatonin receptor type 1A 0.002 0.2087 0.0241
Echinococcus granulosus neuropeptide receptor 0.002 0.2087 0.0274
Echinococcus granulosus biogenic amine 5HT receptor 0.002 0.2087 0.0274
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.3881 0.5551
Brugia malayi Tachykinin-like peptides receptor 99D 0.002 0.2087 0.0241
Schistosoma mansoni biogenic amine receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.0019 0.1892 0.1126
Schistosoma mansoni biogenic amine receptor 0.002 0.2087 0.0274
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.6247 0.5371
Loa Loa (eye worm) fatty acid synthase 0.003 0.3983 0.3415
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Brugia malayi Serotonin receptor 0.002 0.2087 0.0241
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.443 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) TYRA-2 protein 0.002 0.2087 0.134
Schistosoma mansoni hypothetical protein 0.002 0.2087 0.0274
Schistosoma mansoni opsin-like receptor 0.002 0.2087 0.0274
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Brugia malayi larval opioid receptor 0.002 0.2087 0.0241
Echinococcus granulosus fmrfamide receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus multilocularis allatostatin A receptor 0.002 0.2087 0.0274
Schistosoma mansoni neuropeptide receptor 0.002 0.2087 0.0274
Echinococcus granulosus orexin receptor type 2 0.002 0.2087 0.0274
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.9366 0.9218
Echinococcus granulosus tm gpcr rhodopsin 0.002 0.2087 0.0274
Echinococcus granulosus tm gpcr rhodopsin 0.002 0.2087 0.0274
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0535 0.0765
Echinococcus granulosus dro:myosuppressin receptor 0.002 0.2087 0.0274
Echinococcus multilocularis tachykinin peptides receptor 99D 0.002 0.2087 0.0274
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1892 0.1126
Echinococcus multilocularis rhodopsin orphan GPCR 0.002 0.2087 0.0274
Brugia malayi AKH receptor 0.002 0.2087 0.0241
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.002 0.2087 0.0274
Schistosoma mansoni adenoreceptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) melatonin receptor type 1A 0.002 0.2087 0.134
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.443 0.6337
Loa Loa (eye worm) neuropeptide F receptor 0.002 0.2087 0.134
Echinococcus granulosus g protein coupled receptor 0.002 0.2087 0.0274
Echinococcus multilocularis g protein coupled receptor 0.002 0.2087 0.0274
Schistosoma mansoni histamine h1 receptor 0.002 0.2087 0.0274
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.4062 0.2677
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.002 0.2087 0.134
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.002 0.2087 0.134
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Schistosoma mansoni neuropeptide F-like receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) G-protein coupled receptor 0.002 0.2087 0.134
Brugia malayi hypothetical protein 0.002 0.2087 0.0241
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus multilocularis serotonin receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.002 0.2087 0.134
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.002 0.2087 0.0274
Echinococcus multilocularis serotonin receptor 0.002 0.2087 0.0274
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.002 0.2087 0.0274
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.6992 1
Echinococcus multilocularis g-protein coupled receptor 0.002 0.2087 0.0274
Brugia malayi ORL1-like opioid receptor 0.002 0.2087 0.0241
Onchocerca volvulus 0.0028 0.3673 0.2357
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.002 0.2087 0.0274
Echinococcus multilocularis G protein coupled receptor 139 0.002 0.2087 0.0274
Schistosoma mansoni biogenic amine (5HT) receptor 0.002 0.2087 0.0274
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2356 0.3708
Echinococcus granulosus peptide allatostatin:somatostatin 0.002 0.2087 0.0274
Echinococcus granulosus thyrotropin releasing hormone receptor 0.002 0.2087 0.0274
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.002 0.2087 0.0274
Schistosoma mansoni biogenic amine (dopamine) receptor 0.002 0.2087 0.0274
Schistosoma mansoni neuropeptide f receptor 76f 0.002 0.2087 0.0274
Brugia malayi hypothetical protein 0.002 0.2087 0.0241
Echinococcus multilocularis rhodopsin orphan GPCR 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.0051 0.8089 0.7909
Brugia malayi hypothetical protein 0.002 0.2087 0.0241
Schistosoma mansoni amine GPCR 0.002 0.2087 0.0274
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus multilocularis neuropeptide receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.9022 0.893
Loa Loa (eye worm) neuropeptide F receptor 0.002 0.2087 0.134
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4062 0.581
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Brugia malayi G protein-coupled receptor F59B2.13 0.002 0.2087 0.0241
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.443 0.6337
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Brugia malayi putative neuropeptide receptor NPR1 0.002 0.2087 0.0241
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2394 0.3424
Schistosoma mansoni neuropeptide F-like receptor 0.002 0.2087 0.0274
Echinococcus granulosus rhodopsin orphan GPCR 0.002 0.2087 0.0274
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.002 0.2087 0.0274
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.443 0.6337
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.9022 1
Echinococcus multilocularis g protein coupled receptor 0.002 0.2087 0.0274
Echinococcus granulosus g protein coupled receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.4062 0.581
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.443 0.6337
Echinococcus multilocularis orexin receptor type 2 0.002 0.2087 0.0274
Brugia malayi AMP-binding enzyme family protein 0.0028 0.3673 0.2197
Brugia malayi Dopamine receptor 0.002 0.2087 0.0241
Echinococcus granulosus somatostatin receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3673 0.3076
Echinococcus granulosus 7tm_1 domain containing protein 0.002 0.2087 0.0274
Echinococcus multilocularis dro:myosuppressin receptor 0.002 0.2087 0.0274
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.2087 0.0274
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus multilocularis neuropeptide Y receptor 0.002 0.2087 0.0274
Schistosoma mansoni neuropeptide receptor 0.002 0.2087 0.0274
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.2905 0.4155
Echinococcus multilocularis sex peptide receptor 0.002 0.2087 0.0274
Echinococcus multilocularis neuropeptide Y receptor 0.002 0.2087 0.0274
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.2087 0.0274
Echinococcus multilocularis neuropeptides capa receptor 0.002 0.2087 0.0274
Echinococcus multilocularis neuropeptides capa receptor 0.002 0.2087 0.0274
Mycobacterium ulcerans thioesterase 0.0025 0.3075 0.4398
Brugia malayi RE15519p 0.002 0.2087 0.0241
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.2056 0.2941
Mycobacterium ulcerans polyketide synthase 0.003 0.4062 0.581
Schistosoma mansoni neuropeptide receptor 0.002 0.2087 0.0274
Echinococcus granulosus neuropeptide Y receptor 0.002 0.2087 0.0274
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.2905 0.4155
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.2087 0.0274
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4062 0.581
Echinococcus multilocularis rhodopsin orphan GPCR 0.002 0.2087 0.0274
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.2087 0.0274
Schistosoma mansoni biogenic amine receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Schistosoma mansoni amine GPCR 0.002 0.2087 0.0274
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.002 0.2087 0.0274
Echinococcus granulosus neuropeptides capa receptor 0.002 0.2087 0.0274
Brugia malayi hypothetical protein 0.002 0.2087 0.0241
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.6992 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.6992 1
Brugia malayi sulfakinin receptor protein 0.002 0.2087 0.0241
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0176 0.0251
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4062 0.581
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus granulosus rhodopsin orphan GPCR 0.002 0.2087 0.0274
Brugia malayi hypothetical protein 0.002 0.2087 0.0241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.9022 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.002 0.2087 0.0274
Echinococcus multilocularis rhodopsin orphan GPCR 0.002 0.2087 0.0274
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.3881 0.5551
Brugia malayi hypothetical protein 0.002 0.2087 0.0241
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.4062 0.581
Echinococcus multilocularis fmrfamide receptor 0.002 0.2087 0.0274
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.2087 0.0274
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.3075 0.4398
Echinococcus multilocularis rhodopsin orphan GPCR 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus granulosus G protein coupled receptor 139 0.002 0.2087 0.0274
Echinococcus multilocularis rhodopsin orphan GPCR 0.002 0.2087 0.0274
Brugia malayi Dopamine receptor protein 1 0.002 0.2087 0.0241
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.443 0.6337
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.2056 0.2941
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.002 0.2087 0.0274
Echinococcus granulosus neuropeptide receptor A26 0.002 0.2087 0.0274
Echinococcus multilocularis somatostatin receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.6992 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.002 0.2087 0.0274
Schistosoma mansoni alpha-1 adrenergic receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.002 0.2087 0.134
Brugia malayi GnHR receptor homolog 0.002 0.2087 0.0241
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus granulosus allatostatin A receptor 0.002 0.2087 0.0274
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.9022 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.002 0.2087 0.0274
Brugia malayi neuropeptide F receptor 0.002 0.2087 0.0241
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.8816 1
Echinococcus granulosus rhodopsin orphan GPCR 0.002 0.2087 0.0274
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.002 0.2087 0.0241
Loa Loa (eye worm) follicle stimulating hormone receptor 0.002 0.2087 0.134
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3673 0.5254
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.3075 0.4398
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.443 0.6337
Schistosoma mansoni hypothetical protein 0.002 0.2087 0.0274
Echinococcus multilocularis neuropeptide receptor 0.002 0.2087 0.0274
Brugia malayi hypothetical protein 0.002 0.2087 0.0241
Echinococcus multilocularis g protein coupled receptor 0.002 0.2087 0.0274
Schistosoma mansoni neuropeptide receptor 0.002 0.2087 0.0274
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.9022 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.4062 0.581
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.2087 0.0274
Echinococcus granulosus rhodopsin orphan GPCR 0.002 0.2087 0.0274
Echinococcus granulosus tachykinin peptides receptor 99D 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus granulosus neuropeptide Y receptor 0.002 0.2087 0.0274
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.002 0.2087 0.0274
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.002 0.2087 0.0274
Loa Loa (eye worm) G-protein coupled receptor 0.002 0.2087 0.134
Schistosoma mansoni amine GPCR 0.002 0.2087 0.0274
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus multilocularis neuropeptide FF receptor 2 0.002 0.2087 0.0274
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1507 0.2155
Echinococcus multilocularis G-protein coupled receptor, putative 0.002 0.2087 0.0274
Echinococcus granulosus rhodopsin orphan GPCR 0.002 0.2087 0.0274
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.2056 0.2941
Schistosoma mansoni opsin-like receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Brugia malayi Dopamine receptor protein 2 0.002 0.2087 0.0241
Echinococcus multilocularis fmrfamide receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus granulosus sex peptide receptor 0.002 0.2087 0.0274
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.002 0.2087 0.0274
Brugia malayi hypothetical protein 0.002 0.2087 0.0241
Brugia malayi follicle stimulating hormone receptor 0.002 0.2087 0.0241
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.002 0.2087 0.0241
Brugia malayi G-protein coupled receptor 0.002 0.2087 0.0241
Echinococcus granulosus serotonin receptor 0.002 0.2087 0.0274
Mycobacterium ulcerans polyketide synthase 0.0032 0.443 0.6337
Onchocerca volvulus 0.0052 0.8448 0.9453
Echinococcus multilocularis neuropeptide s receptor 0.002 0.2087 0.0274
Schistosoma mansoni biogenic amine (5HT) receptor 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus multilocularis biogenic amine (5HT) receptor 0.002 0.2087 0.0274
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Schistosoma mansoni hypothetical protein 0.002 0.2087 0.0274
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.002 0.2087 0.0274
Brugia malayi putative neuropeptide receptor 0.002 0.2087 0.0241
Echinococcus granulosus tm gpcr rhodopsin 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.002 0.2087 0.0241
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.002 0.2087 0.0274
Schistosoma mansoni growth hormone secretagogue receptor 0.002 0.2087 0.0274
Brugia malayi hypothetical protein 0.002 0.2087 0.0241
Echinococcus granulosus rhodopsin orphan GPCR 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.002 0.2087 0.0274
Echinococcus granulosus neuropeptides capa receptor 0.002 0.2087 0.0274
Brugia malayi G-protein coupled receptor 0.002 0.2087 0.0241
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.1982 0.2574
Schistosoma mansoni opsin-like receptor 0.002 0.2087 0.0274
Echinococcus granulosus neuropeptide receptor 0.002 0.2087 0.0274
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.002 0.2087 0.0274
Echinococcus multilocularis rhodopsin orphan GPCR 0.002 0.2087 0.0274
Brugia malayi G protein-coupled receptor 0.002 0.2087 0.0241
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.2087 0.0274
Schistosoma mansoni biogenic amine (dopamine) receptor 0.002 0.2087 0.0274
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.9022 0.8794
Schistosoma mansoni myosin xvIII 0.002 0.2087 0.0274
Brugia malayi Serotonin/octopamine receptor family protein 7 0.002 0.2087 0.0241
Brugia malayi hypothetical protein 0.002 0.2087 0.0241
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.9022 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.1458 0.0651
Echinococcus granulosus g protein coupled receptor 0.002 0.2087 0.0274
Echinococcus granulosus hypothetical protein 0.002 0.2087 0.0274
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.443 0.6337
Schistosoma mansoni amine GPCR 0.002 0.2087 0.0274
Echinococcus granulosus neuropeptide s receptor 0.002 0.2087 0.0274
Echinococcus multilocularis alpha 1A adrenergic receptor 0.002 0.2087 0.0274
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.2983 0.4267
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.2087 0.0274
Echinococcus granulosus 7TM GPCR rhodopsin 0.002 0.2087 0.0274
Echinococcus granulosus alpha 1A adrenergic receptor 0.002 0.2087 0.0274
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.9022 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.2905 0.4155
Mycobacterium ulcerans thioesterase TesA 0.0025 0.3075 0.4398
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.4062 0.581
Schistosoma mansoni peptide (allatostatin)-like receptor 0.002 0.2087 0.0274
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.9022 1
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4062 0.581
Schistosoma mansoni biogenic amine (dopamine) receptor 0.002 0.2087 0.0274
Echinococcus granulosus g-protein coupled receptor 0.002 0.2087 0.0274
Schistosoma mansoni hypothetical protein 0.0041 0.6247 0.6108
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4062 0.581
Loa Loa (eye worm) hypothetical protein 0.002 0.2087 0.134
Echinococcus granulosus biogenic amine 5HT receptor 0.002 0.2087 0.0274
Echinococcus granulosus neuropeptide FF receptor 2 0.002 0.2087 0.0274
Brugia malayi gonadotropin-releasing hormone receptor 2 0.002 0.2087 0.0241
Schistosoma mansoni amine GPCR 0.002 0.2087 0.0274
Loa Loa (eye worm) hypothetical protein 0.0041 0.6247 0.5893
Schistosoma mansoni hypothetical protein 0.002 0.2087 0.0274
Echinococcus multilocularis neuropeptide receptor A26 0.002 0.2087 0.0274
Echinococcus granulosus rhodopsin orphan GPCR 0.002 0.2087 0.0274
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.443 0.6337

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 10.9 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
IC50 (functional) 11.4 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
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 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
Saccharomyces cerevisiae 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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