Detailed information for compound 1381430

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.409 | Formula: C18H18N2O8S
  • H donors: 1 H acceptors: 7 LogP: 1.78 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])CCC(=O)O
  • InChi: 1S/C18H18N2O8S/c1-28-15-6-2-13(3-7-15)17(21)12-19(11-10-18(22)23)29(26,27)16-8-4-14(5-9-16)20(24)25/h2-9H,10-12H2,1H3,(H,22,23)
  • InChiKey: FANOEONTUAWTLY-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 GNAS complex locus Starlite/ChEMBL No references
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Loa Loa (eye worm) hypothetical protein 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 ulcerans 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 Phenolpthiocerol synthesis type-I polyketide synthase PpsD 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 tuberculosis Probable polyketide synthase Pks15 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis 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 PPSE 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
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 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 Pks7 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
Neospora caninum KR domain domain-containing protein, putative 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
Mycobacterium leprae Probable polyketide synthase Pks1 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 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
Onchocerca volvulus 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 multifunctional mycocerosic acid synthase membrane-associated Mas 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 Probable polyketide synthase Pks1 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
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 phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase 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
Cryptosporidium hominis hypothetical protein 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
Neospora caninum Soraphen polyketide synthase A, related 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
Loa Loa (eye worm) hypothetical 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 ulcerans polyketide synthase Pks9 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 multifunctional mycocerosic acid synthase membrane-associated Mas 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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 leprae Polyketide synthase Pks13 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
Loa Loa (eye worm) fatty acid synthase 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 PPSC 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 tuberculosis Polyketide synthase Pks2 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 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
Mycobacterium ulcerans polyketide synthase 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 polyketide synthase 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 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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 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
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 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
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 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 tuberculosis Polyketide synthase Pks13 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
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 Unidentified vitellogenin-linked transcript protein 6, putative 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0037 0.5698 0.2922
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.9633 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.9633 0.9397
Onchocerca volvulus 0.0052 0.9021 0.9285
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.4337 0.581
Brugia malayi hypothetical protein 0.0037 0.5698 0.2922
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.4337 0.581
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0571 0.0765
Brugia malayi ORL1-like opioid receptor 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.7465 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.9633 1
Brugia malayi putative neuropeptide receptor 0.0037 0.5698 0.2922
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Brugia malayi G protein-coupled receptor F59B2.13 0.0037 0.5698 0.2922
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4337 0.581
Onchocerca volvulus 0.0037 0.5698 0.3234
Onchocerca volvulus 0.0037 0.5698 0.3234
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi G protein-coupled receptor 0.0037 0.5698 0.2922
Onchocerca volvulus 0.0037 0.5698 0.3234
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.4144 0.5551
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.473 0.6337
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.473 0.6337
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.473 0.6337
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi G-protein coupled receptor 0.0037 0.5698 0.2922
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0037 0.5698 0.5483
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0188 0.0251
Brugia malayi G-protein coupled receptor 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.2195 0.2941
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi follicle stimulating hormone receptor 0.0037 0.5698 0.2922
Brugia malayi Dopamine receptor protein 2 0.0037 0.5698 0.2922
Brugia malayi hypothetical protein 0.0037 0.5698 0.2922
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.473 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4337 0.581
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.473 0.6337
Onchocerca volvulus 0.0037 0.5698 0.3234
Onchocerca volvulus 0.0037 0.5698 0.3234
Brugia malayi GnHR receptor homolog 0.0037 0.5698 0.2922
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.3283 0.4398
Onchocerca volvulus 0.0037 0.5698 0.3234
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.3185 0.4267
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.7465 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi RE15519p 0.0037 0.5698 0.2922
Loa Loa (eye worm) G-protein coupled receptor 0.0037 0.5698 0.5483
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2515 0.3708
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.4144 0.5551
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0037 0.5698 0.5483
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.9633 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0037 0.5698 0.3234
Onchocerca volvulus 0.0037 0.5698 0.3234
Brugia malayi hypothetical protein 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi hypothetical protein 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.3102 0.4155
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.3102 0.4155
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.2195 0.2941
Brugia malayi Dopamine receptor protein 1 0.0037 0.5698 0.2922
Brugia malayi hypothetical protein 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.9633 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.9633 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.9633 1
Mycobacterium ulcerans polyketide synthase 0.003 0.4337 0.581
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi hypothetical protein 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Onchocerca volvulus 0.0037 0.5698 0.3234
Onchocerca volvulus 0.0037 0.5698 0.3234
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3922 0.5254
Onchocerca volvulus 0.0037 0.5698 0.3234
Mycobacterium ulcerans polyketide synthase 0.0032 0.473 0.6337
Brugia malayi AKH receptor 0.0037 0.5698 0.2922
Onchocerca volvulus 0.0037 0.5698 0.3234
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0037 0.5698 0.5483
Brugia malayi hypothetical protein 0.0037 0.5698 0.2922
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0037 0.5698 0.5483
Onchocerca volvulus 0.0037 0.5698 0.3234
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Onchocerca volvulus 0.0037 0.5698 0.3234
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) melatonin receptor type 1A 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.9633 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.473 0.6337
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi neuropeptide F receptor 0.0037 0.5698 0.2922
Brugia malayi Melatonin receptor type 1A 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0051 0.8637 0.8856
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.473 0.6337
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.4337 0.0684
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi Serotonin receptor 0.0037 0.5698 0.2922
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0037 0.5698 0.5483
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.9413 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0037 0.5698 0.2922
Brugia malayi neuropeptide F receptor 0.0037 0.5698 0.2922
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0037 0.5698 0.3234
Loa Loa (eye worm) G-protein coupled receptor 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) neuropeptide F receptor 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi Serotonin receptor 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.473 0.6337
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Onchocerca volvulus 0.0037 0.5698 0.3234
Brugia malayi Tachykinin-like peptides receptor 99D 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Brugia malayi sulfakinin receptor protein 0.0037 0.5698 0.2922
Brugia malayi larval opioid receptor 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.3283 0.4398
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.3102 0.4155
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0017 0.1557 0.0729
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.2116 0.2574
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.7465 1
Mycobacterium ulcerans thioesterase 0.0025 0.3283 0.4398
Onchocerca volvulus 0.0037 0.5698 0.3234
Brugia malayi hypothetical protein 0.0037 0.5698 0.2922
Brugia malayi hypothetical protein 0.0037 0.5698 0.2922
Mycobacterium ulcerans thioesterase TesA 0.0025 0.3283 0.4398
Loa Loa (eye worm) fatty acid synthase 0.003 0.4253 0.3824
Onchocerca volvulus 0.0037 0.5698 0.3234
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.2195 0.2941
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.7465 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.473 0.6337
Brugia malayi hypothetical protein 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4337 0.581
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3922 0.3444
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.4337 0.581
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.4337 0.581
Loa Loa (eye worm) TYRA-2 protein 0.0037 0.5698 0.5483
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2556 0.3424
Brugia malayi putative neuropeptide receptor NPR1 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1609 0.2155
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.9633 1
Onchocerca volvulus 0.0037 0.5698 0.3234
Brugia malayi Dopamine receptor 0.0037 0.5698 0.2922
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0037 0.5698 0.2922
Loa Loa (eye worm) hypothetical protein 0.0037 0.5698 0.5483
Loa Loa (eye worm) neuropeptide F receptor 0.0037 0.5698 0.5483

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 3.51 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) 6.15 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) 1 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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