Detailed information for compound 805927

Basic information

Technical information
  • TDR Targets ID: 805927
  • Name: N-(2-methoxyethyl)-4-[1-[(3-nitrophenyl)methy l]-2,4-dioxoquinazolin-3-yl]butanamide
  • MW: 440.449 | Formula: C22H24N4O6
  • H donors: 1 H acceptors: 5 LogP: 1.59 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)CCCn1c(=O)c2ccccc2n(c1=O)Cc1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C22H24N4O6/c1-32-13-11-23-20(27)10-5-12-24-21(28)18-8-2-3-9-19(18)25(22(24)29)15-16-6-4-7-17(14-16)26(30)31/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,23,27)
  • InChiKey: UGLQKIDQJKBUNJ-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-methoxyethyl)-4-[1-[(3-nitrophenyl)methyl]-2,4-dioxo-quinazolin-3-yl]butanamide
  • N-(2-methoxyethyl)-4-[1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-quinazolinyl]butanamide
  • 4-[2,4-diketo-1-(3-nitrobenzyl)quinazolin-3-yl]-N-(2-methoxyethyl)butyramide
  • SMR000308734
  • MLS000730458
  • N-(2-methoxyethyl)-4-[1-(3-nitrobenzyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii type I fatty acid synthase, putative 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
Toxoplasma gondii type I fatty acid synthase 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
Onchocerca volvulus 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 aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 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
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 Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
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
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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) hypothetical protein 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 membrane bound polyketide synthase Pks6 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 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 polyketide synthase Pks9 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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 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
Cryptosporidium hominis hypothetical protein 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
Loa Loa (eye worm) acyl carrier protein 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 aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein 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
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans 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 leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae Probable polyketide synthase Pks1 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
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 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) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii type I fatty acid synthase, putative 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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae 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
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 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
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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 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
Onchocerca volvulus Fatty acid synthase homolog 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
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 PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae Polyketide synthase Pks13 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
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 PpsB 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 Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein 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
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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
Schistosoma mansoni nuclear hormone receptor 0.0012 0.049 0.049
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.7023 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 1 1
Brugia malayi AMP-binding enzyme family protein 0.0009 0.0029 0.0039
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.049 0.049
Brugia malayi nuclear hormone receptor 0.0012 0.049 0.0657
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.3559 0.3559
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0009 0 0.5
Giardia lamblia Methyltransferase like 2 0.0009 0 0.5
Mycobacterium ulcerans thioesterase TesA 0.0025 0.2489 0.2467
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.3268 0.3268
Mycobacterium ulcerans fatty acid synthase Fas 0.0009 0.006 0.0031
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.3559 0.6337
Schistosoma mansoni aldehyde dehydrogenase 0.0073 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.049 0.049
Loa Loa (eye worm) hypothetical protein 0.0017 0.1212 0.1078
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.1684 0.166
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0009 0.0029 0.0029
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.3268 0.3249
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.049 0.0657
Loa Loa (eye worm) hypothetical protein 0.0051 0.6449 0.89
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.125 0.125
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.1684 0.166
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.049 0.049
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.049 0.0657
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.1921 0.1068
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.7457 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.3268 0.3249
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.049 0.0657
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 1 1
Brugia malayi ecdysteroid receptor 0.0012 0.049 0.0657
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.3559 0.354
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.3268 0.3268
Schistosoma mansoni aldehyde dehydrogenase 0.0073 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.049 0.0657
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.3559 0.3559
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.5582 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.049 0.0657
Onchocerca volvulus 0.0028 0.2961 0.3783
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.3268 0.3249
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.7186 0.7041
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.049 0.049
Mycobacterium ulcerans polyketide synthase 0.003 0.3268 0.3249
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.1951 0.1951
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.3559 0.2879
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.2961 0.2961
Schistosoma mansoni thyroid hormone receptor 0.0012 0.049 0.049
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.5582 0.5582
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.2961 0.3691
Brugia malayi steroid hormone receptor 0.0012 0.049 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.049 0.0657
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.049 0.049
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.3125 0.3125
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.3559 0.354
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.3559 0.6337
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Schistosoma mansoni coup transcription factor 0.0012 0.049 0.049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7186 0.7186
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.3268 0.4383
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.2354 0.2332
Toxoplasma gondii aldehyde dehydrogenase 0.0073 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.049 0.0657
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.7186 0.7041
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.5582 0.5582
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.3125 0.3125
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.3268 0.581
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.3559 0.3559
Loa Loa (eye worm) fatty acid synthase 0.003 0.3206 0.4057
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.049 0.049
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0009 0.006 0.006
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.7186 0.9636
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.049 0.049
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.2489 0.2489
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.3268 0.3268
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.3268 0.581
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.3559 0.6337
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.1625 0.0741
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.7186 0.7041
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0199 0.0199
Loa Loa (eye worm) acyl carrier protein 0.0014 0.0742 0.0376
Brugia malayi AMP-binding enzyme family protein 0.0028 0.2961 0.3971
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.2354 0.4155
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.049 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.049 0.0657
Brugia malayi nuclear receptor NHR-88 0.0012 0.049 0.0657
Mycobacterium ulcerans thioesterase 0.0025 0.2489 0.2467
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7186 0.7186
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0482 0.0482
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.049 0.0657
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.049 0.0657
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.5582 0.5569
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.2354 0.2332
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.7186 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.3268 0.3249
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.2489 0.4398
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.049 0.0657
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.049 0.0657
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.049 0.0657
Schistosoma mansoni thyroid hormone receptor 0.0012 0.049 0.049
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.049 0.049
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.2416 0.2416
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.1684 0.2941
Mycobacterium ulcerans polyketide synthase 0.0032 0.3559 0.354
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7186 0.7186
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.049 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.049 0.0657
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.049 0.049
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.7186 0.7041
Onchocerca volvulus 0.0052 0.6732 0.9555

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 11.6 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) 15.8 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) 0.8913 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) 4.4668 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) = 11.9061 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.
 
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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