Detailed information for compound 41732

Basic information

Technical information
  • TDR Targets ID: 41732
  • Name: 2-[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl )propoxy]benzoyl]amino]pentanedioic acid
  • MW: 433.415 | Formula: C19H23N5O7
  • H donors: 6 H acceptors: 8 LogP: 0.53 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)OCCCc1c(N)nc(nc1O)N
  • InChi: 1S/C19H23N5O7/c20-15-12(17(28)24-19(21)23-15)2-1-9-31-11-5-3-10(4-6-11)16(27)22-13(18(29)30)7-8-14(25)26/h3-6,13H,1-2,7-9H2,(H,22,27)(H,25,26)(H,29,30)(H5,20,21,23,24,28)
  • InChiKey: OMMVRUKMUVIFFB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propoxy]phenyl]-oxomethyl]amino]pentanedioic acid
  • 2-[[4-[3-[2,6-bis(azanyl)-4-oxo-1H-pyrimidin-5-yl]propoxy]phenyl]carbonylamino]pentanedioic acid
  • 2-[[4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propoxy]benzoyl]amino]glutaric acid
  • 2-[[4-[3-(2,4-diamino-6-oxo-3H-pyrimidin-5-yl)propoxy]benzoyl]amino]pentanedioic acid
  • 2-[[[4-[3-(2,4-diamino-6-oxo-3H-pyrimidin-5-yl)propoxy]phenyl]-oxomethyl]amino]pentanedioic acid
  • 2-[[4-[3-(2,4-diamino-6-keto-3H-pyrimidin-5-yl)propoxy]benzoyl]amino]glutaric acid
  • 2-[[4-[3-(2,4-diamino-6-oxo-3H-pyrimidin-5-yl)propoxy]phenyl]carbonylamino]pentanedioic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphoribosylglycinamide formyltransferase, phosphoribosylglycinamide synthetase, phosphoribosylaminoimidazole synthetase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_126894 All targets in OG5_126894
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) Get druggable targets OG5_126894 All targets in OG5_126894
Mycobacterium tuberculosis Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt Get druggable targets OG5_126894 All targets in OG5_126894
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT Get druggable targets OG5_126894 All targets in OG5_126894
Mycobacterium ulcerans phosphoribosylamine--glycine ligase Get druggable targets OG5_126894 All targets in OG5_126894
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE) Get druggable targets OG5_126894 All targets in OG5_126894
Candida albicans ADE5,7 bifunctional ligase Get druggable targets OG5_126894 All targets in OG5_126894
Candida albicans N terminus of ADE5,7 bifunctional ligase Get druggable targets OG5_126894 All targets in OG5_126894
Onchocerca volvulus Get druggable targets OG5_126894 All targets in OG5_126894
Wolbachia endosymbiont of Brugia malayi phosphoribosylaminoimidazole synthetase Get druggable targets OG5_126894 All targets in OG5_126894
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase Get druggable targets OG5_126894 All targets in OG5_126894
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase Get druggable targets OG5_126894 All targets in OG5_126894
Candida albicans purine biosynthesis Get druggable targets OG5_126894 All targets in OG5_126894
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
Echinococcus multilocularis g protein coupled receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Brugia malayi hypothetical protein 0.0475 1 0.5
Brugia malayi G protein-coupled receptor 0.0475 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0475 1 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0475 1 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0475 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Brugia malayi neuropeptide F receptor 0.0475 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0475 1 0.5
Brugia malayi neuropeptide F receptor 0.0475 1 0.5
Schistosoma mansoni biogenic amine receptor 0.0475 1 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0475 1 0.5
Brugia malayi sulfakinin receptor protein 0.0475 1 0.5
Echinococcus multilocularis allatostatin A receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Brugia malayi hypothetical protein 0.0475 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0475 1 0.5
Brugia malayi Dopamine receptor protein 1 0.0475 1 0.5
Schistosoma mansoni amine GPCR 0.0475 1 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0475 1 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0475 1 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0475 1 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0475 1 0.5
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.004 0.0182 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0475 1 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0475 1 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0475 1 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0475 1 0.5
Brugia malayi G-protein coupled receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Brugia malayi ORL1-like opioid receptor 0.0475 1 0.5
Echinococcus multilocularis serotonin receptor 0.0475 1 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Brugia malayi follicle stimulating hormone receptor 0.0475 1 0.5
Brugia malayi hypothetical protein 0.0475 1 0.5
Echinococcus multilocularis fmrfamide receptor 0.0475 1 0.5
Echinococcus multilocularis sex peptide receptor 0.0475 1 0.5
Schistosoma mansoni adenoreceptor 0.0475 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0475 1 0.5
Schistosoma mansoni amine GPCR 0.0475 1 0.5
Brugia malayi hypothetical protein 0.0475 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0475 1 0.5
Echinococcus multilocularis orexin receptor type 2 0.0475 1 0.5
Brugia malayi putative neuropeptide receptor 0.0475 1 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0475 1 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0475 1 0.5
Echinococcus multilocularis neuropeptide receptor 0.0475 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0475 1 0.5
Echinococcus granulosus neuropeptide receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0475 1 0.5
Echinococcus granulosus somatostatin receptor 0.0475 1 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Schistosoma mansoni biogenic amine receptor 0.0475 1 0.5
Brugia malayi GnHR receptor homolog 0.0475 1 0.5
Schistosoma mansoni hypothetical protein 0.0475 1 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0475 1 0.5
Schistosoma mansoni opsin-like receptor 0.0475 1 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Echinococcus multilocularis neuropeptide receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0475 1 0.5
Schistosoma mansoni hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0475 1 0.5
Echinococcus multilocularis fmrfamide receptor 0.0475 1 0.5
Schistosoma mansoni amine GPCR 0.0475 1 0.5
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.018 0.3341 1
Onchocerca volvulus 0.0475 1 1
Echinococcus multilocularis serotonin receptor 0.0475 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0475 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0475 1 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0475 1 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0475 1 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0475 1 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0475 1 0.5
Echinococcus granulosus fmrfamide receptor 0.0475 1 0.5
Schistosoma mansoni opsin-like receptor 0.0475 1 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0475 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0475 1 0.5
Schistosoma mansoni biogenic amine receptor 0.0475 1 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0475 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0475 1 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0475 1 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0475 1 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0475 1 0.5
Echinococcus multilocularis g protein coupled receptor 0.0475 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0475 1 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0475 1 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0475 1 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0475 1 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0475 1 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0475 1 0.5
Brugia malayi hypothetical protein 0.0475 1 0.5
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.018 0.3341 1
Onchocerca volvulus 0.0475 1 1
Onchocerca volvulus 0.0475 1 1
Brugia malayi G-protein coupled receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0475 1 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0475 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0475 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0475 1 0.5
Brugia malayi hypothetical protein 0.0475 1 0.5
Brugia malayi RE15519p 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0475 1 0.5
Brugia malayi Dopamine receptor protein 2 0.0475 1 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0475 1 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Onchocerca volvulus 0.0475 1 1
Schistosoma mansoni amine GPCR 0.0475 1 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0475 1 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0475 1 0.5
Echinococcus granulosus serotonin receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0475 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0475 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0475 1 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0475 1 0.5
Schistosoma mansoni amine GPCR 0.0475 1 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0475 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0475 1 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0475 1 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0475 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0475 1 0.5
Echinococcus granulosus orexin receptor type 2 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Onchocerca volvulus 0.0475 1 1
Schistosoma mansoni hypothetical protein 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Schistosoma mansoni hypothetical protein 0.0475 1 0.5
Echinococcus granulosus hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0475 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0475 1 1
Brugia malayi larval opioid receptor 0.0475 1 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0475 1 0.5
Schistosoma mansoni opsin-like receptor 0.0475 1 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0475 1 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0475 1 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0475 1 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Echinococcus granulosus neuropeptide s receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Brugia malayi Dopamine receptor 0.0475 1 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus g protein coupled receptor 0.0475 1 0.5
Echinococcus granulosus g protein coupled receptor 0.0475 1 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0475 1 0.5
Schistosoma mansoni neuropeptide receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0475 1 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0475 1 0.5
Brugia malayi Serotonin receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus sex peptide receptor 0.0475 1 0.5
Brugia malayi Serotonin receptor 0.0475 1 0.5
Echinococcus granulosus g-protein coupled receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0475 1 0.5
Schistosoma mansoni myosin xvIII 0.0475 1 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0475 1 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0475 1 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0475 1 1
Echinococcus granulosus neuropeptide receptor 0.0475 1 0.5
Brugia malayi Melatonin receptor type 1A 0.0475 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0475 1 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0475 1 0.5
Brugia malayi hypothetical protein 0.0475 1 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0475 1 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0475 1 0.5
Echinococcus granulosus g protein coupled receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0475 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0475 1 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0475 1 0.5
Brugia malayi hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Schistosoma mansoni histamine h1 receptor 0.0475 1 0.5
Echinococcus multilocularis somatostatin receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0475 1 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0475 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0475 1 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Brugia malayi AKH receptor 0.0475 1 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0475 1 0.5
Onchocerca volvulus 0.004 0.0182 0.0182
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0475 1 0.5
Onchocerca volvulus 0.0475 1 1
Brugia malayi hypothetical protein 0.0475 1 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0475 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0475 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0475 1 0.5
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.018 0.3341 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0475 1 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0475 1 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0475 1 0.5
Echinococcus granulosus allatostatin A receptor 0.0475 1 0.5
Echinococcus multilocularis g protein coupled receptor 0.0475 1 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0475 1 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0475 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.085 uM Compound was evaluated in vitro for inhibition of growth of MCF-7 human breast adenocarcinoma using 72 hours continuous exposure ChEMBL. 1573633
IC50 (functional) = 0.085 uM Compound was evaluated in vitro for inhibition of growth of MCF-7 human breast adenocarcinoma using 72 hours continuous exposure ChEMBL. 1573633
IC50 (functional) = 1.1 uM Compound was evaluated for inhibition of [3H]-methotrexate uptake into MOLT-4 cells ChEMBL. 1573633
IC50 (functional) = 1.1 uM Compound was evaluated for inhibition of [3H]-methotrexate uptake into MOLT-4 cells ChEMBL. 1573633
IC50 (binding) = 5.3 uM In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor ChEMBL. 1573633
IC50 (binding) = 5.3 uM In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor ChEMBL. 1573633
Km (binding) = 47.6 uM Km value of Hog Folyl-polyglutamate synthase in presence of the compound relative to aminopterin ChEMBL. 1573633
Km (binding) = 47.6 uM Km value of Hog Folyl-polyglutamate synthase in presence of the compound relative to aminopterin ChEMBL. 1573633
Vmax (binding) = 124 % Percent Vmax of Hog Folyl-polyglutamate synthase in presence of the compound relative to aminopterin ChEMBL. 1573633
Vmax (binding) = 124 % Percent Vmax of Hog Folyl-polyglutamate synthase in presence of the compound relative to aminopterin ChEMBL. 1573633

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 1573633

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

1 literature reference was collected for this gene.

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