Detailed information for compound 143636

Basic information

Technical information
  • TDR Targets ID: 143636
  • Name: N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[(4 -fluorophenyl)methylsulfanyl]-5-[(1-methylpyr azol-4-yl)methyl]-4-oxopyrimidin-1-yl]-N-(2-h ydroxyethyl)acetamide
  • MW: 632.147 | Formula: C33H31ClFN5O3S
  • H donors: 1 H acceptors: 4 LogP: 4.83 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCCN(C(=O)Cn1cc(Cc2cnn(c2)C)c(=O)nc1SCc1ccc(cc1)F)Cc1ccc(cc1)c1ccc(cc1)Cl
  • InChi: 1S/C33H31ClFN5O3S/c1-38-18-25(17-36-38)16-28-20-40(33(37-32(28)43)44-22-24-4-12-30(35)13-5-24)21-31(42)39(14-15-41)19-23-2-6-26(7-3-23)27-8-10-29(34)11-9-27/h2-13,17-18,20,41H,14-16,19,21-22H2,1H3
  • InChiKey: QBOWMQHTHPHCEL-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-pyrimidin-1-yl]-N-(2-hydroxyethyl)acetamide
  • N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-4-pyrazolyl)methyl]-4-oxo-1-pyrimidinyl]-N-(2-hydroxyethyl)acetamide
  • N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-pyrimidin-1-yl]-N-(2-hydroxyethyl)ethanamide
  • N-[4-(4-chlorophenyl)benzyl]-2-[2-[(4-fluorobenzyl)thio]-4-keto-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-1-yl]-N-(2-hydroxyethyl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL References
Homo sapiens phospholipase A2, group VII (platelet-activating factor acetylhydrolase, plasma) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma cruzi phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Loa Loa (eye worm) platelet-activating factor acetylhydrolase Get druggable targets OG5_129351 All targets in OG5_129351
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus g protein coupled receptor 0.0063 0.1345 0.4662
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.038 0.9444 1
Onchocerca volvulus 0.0063 0.1345 0.1142
Echinococcus multilocularis neuropeptide receptor 0.0063 0.1345 0.4662
Trichomonas vaginalis glycogen phosphorylase, putative 0.0058 0.1218 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.038 0.9444 0.5
Leishmania major phospholipase A1, putative 0.0402 1 1
Brugia malayi AKH receptor 0.0063 0.1345 0.1345
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0063 0.1345 0.4662
Echinococcus multilocularis somatostatin receptor 0.0063 0.1345 0.4662
Onchocerca volvulus 0.0063 0.1345 0.1142
Echinococcus granulosus rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0063 0.1345 0.4662
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0063 0.1345 0.4267
Echinococcus granulosus g-protein coupled receptor 0.0063 0.1345 0.4662
Echinococcus granulosus geminin 0.0122 0.2844 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni glycogen phosphorylase 0.0058 0.1218 0.3779
Brugia malayi hypothetical protein 0.0063 0.1345 0.1345
Echinococcus multilocularis lamin dm0 0.0019 0.023 0.0689
Echinococcus granulosus fmrfamide receptor 0.0063 0.1345 0.4662
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0063 0.1345 0.4662
Brugia malayi hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Brugia malayi hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni amine GPCR 0.0063 0.1345 0.4267
Schistosoma mansoni amine GPCR 0.0063 0.1345 0.4267
Echinococcus granulosus rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0063 0.1345 0.4267
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0063 0.1345 0.4267
Echinococcus granulosus lamin 0.0019 0.023 0.0689
Brugia malayi hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0063 0.1345 0.4267
Brugia malayi Dopamine receptor protein 2 0.0063 0.1345 0.1345
Schistosoma mansoni metabotropic glutamate receptor 0.0079 0.1758 0.5846
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0063 0.1345 0.4662
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0063 0.1345 0.1345
Entamoeba histolytica fatty acid elongase, putative 0.0049 0.0996 0.7364
Loa Loa (eye worm) hypothetical protein 0.0012 0.0036 0.0036
Schistosoma mansoni biogenic amine (5HT) receptor 0.0063 0.1345 0.4267
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.0032 0.0562 0.0452
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0063 0.1345 0.1345
Brugia malayi ORL1-like opioid receptor 0.0063 0.1345 0.1345
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0184 0.4442 0.4378
Onchocerca volvulus 0.0063 0.1345 0.1142
Echinococcus granulosus neuropeptide Y receptor 0.0063 0.1345 0.4662
Brugia malayi G-protein coupled receptor 0.0063 0.1345 0.1345
Echinococcus granulosus neuropeptide Y receptor 0.0063 0.1345 0.4662
Schistosoma mansoni hypothetical protein 0.0122 0.2844 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0019 0.023 0.023
Echinococcus multilocularis fmrfamide receptor 0.0063 0.1345 0.4662
Echinococcus granulosus rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Echinococcus multilocularis g protein coupled receptor 0.0063 0.1345 0.4662
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0063 0.1345 0.1345
Brugia malayi metabotropic glutamate receptor type 2 0.0012 0.0036 0.0036
Giardia lamblia Glycogen phosphorylase 0.0058 0.1218 1
Schistosoma mansoni neuropeptide receptor 0.0063 0.1345 0.4267
Brugia malayi sulfakinin receptor protein 0.0063 0.1345 0.1345
Echinococcus granulosus intermediate filament protein 0.0019 0.023 0.0689
Echinococcus multilocularis orexin receptor type 2 0.0063 0.1345 0.4662
Brugia malayi Cytochrome P450 family protein 0.0015 0.0115 0.0115
Brugia malayi GnHR receptor homolog 0.0063 0.1345 0.1345
Onchocerca volvulus 0.0063 0.1345 0.1142
Echinococcus multilocularis neuropeptide Y receptor 0.0063 0.1345 0.4662
Onchocerca volvulus 0.0063 0.1345 0.1142
Echinococcus multilocularis rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Onchocerca volvulus 0.0063 0.1345 0.1142
Echinococcus multilocularis glycogen phosphorylase 0.0058 0.1218 0.4208
Onchocerca volvulus 0.0063 0.1345 0.1142
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0063 0.1345 0.4267
Brugia malayi hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni opsin-like receptor 0.0063 0.1345 0.4267
Brugia malayi hypothetical protein 0.0063 0.1345 0.1345
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.038 0.9444 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0063 0.1345 0.1142
Echinococcus granulosus dro:myosuppressin receptor 0.0063 0.1345 0.4662
Echinococcus multilocularis geminin 0.0122 0.2844 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.038 0.9444 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Echinococcus multilocularis lamin 0.0019 0.023 0.0689
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0063 0.1345 0.1345
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0063 0.1345 0.4267
Echinococcus granulosus g protein coupled receptor 0.0063 0.1345 0.4662
Onchocerca volvulus 0.0402 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Brugia malayi G-protein coupled receptor 0.0063 0.1345 0.1345
Loa Loa (eye worm) G-protein coupled receptor 0.0063 0.1345 0.1345
Echinococcus granulosus glycogen phosphorylase 0.0058 0.1218 0.4208
Echinococcus granulosus neuropeptide FF receptor 2 0.0063 0.1345 0.4662
Brugia malayi Melatonin receptor type 1A 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Entamoeba histolytica fatty acid elongase, putative 0.0049 0.0996 0.7364
Brugia malayi Cytochrome P450 family protein 0.0015 0.0115 0.0115
Echinococcus granulosus 7TM GPCR rhodopsin 0.0063 0.1345 0.4662
Schistosoma mansoni protein kinase 0.0032 0.0562 0.1269
Loa Loa (eye worm) hypothetical protein 0.0019 0.0221 0.0221
Echinococcus multilocularis G-protein coupled receptor, putative 0.0063 0.1345 0.4662
Echinococcus granulosus allatostatin A receptor 0.0063 0.1345 0.4662
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.0402 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0063 0.1345 0.4662
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0063 0.1345 0.4267
Onchocerca volvulus 0.0063 0.1345 0.1142
Echinococcus granulosus rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Echinococcus multilocularis neuropeptide receptor 0.0063 0.1345 0.4662
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0063 0.1345 0.4662
Chlamydia trachomatis oxoacyl-ACP synthase III 0.038 0.9444 1
Loa Loa (eye worm) intermediate filament protein 0.0019 0.023 0.023
Schistosoma mansoni neuropeptide F-like receptor 0.0063 0.1345 0.4267
Onchocerca volvulus 0.0063 0.1345 0.1142
Onchocerca volvulus 0.0063 0.1345 0.1142
Echinococcus multilocularis g protein coupled receptor 0.0063 0.1345 0.4662
Schistosoma mansoni growth hormone secretagogue receptor 0.0063 0.1345 0.4267
Brugia malayi carbohydrate phosphorylase 0.0058 0.1218 0.1218
Loa Loa (eye worm) hypothetical protein 0.0019 0.023 0.023
Schistosoma mansoni hypothetical protein 0.0063 0.1345 0.4267
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Trypanosoma cruzi phospholipase A1, putative 0.0402 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0063 0.1345 0.4662
Onchocerca volvulus Neuropeptide F receptor homolog 0.0063 0.1345 0.1142
Onchocerca volvulus 0.0063 0.1345 0.1142
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0063 0.1345 0.4267
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0063 0.1345 0.4662
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Echinococcus granulosus peptide allatostatin:somatostatin 0.0063 0.1345 0.4662
Loa Loa (eye worm) TYRA-2 protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Echinococcus multilocularis Glycosyl transferase, family 35 0.0058 0.1218 0.4208
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0063 0.1345 0.1345
Brugia malayi neuropeptide F receptor 0.0063 0.1345 0.1345
Echinococcus granulosus serotonin receptor 0.0063 0.1345 0.4662
Echinococcus granulosus sex peptide receptor 0.0063 0.1345 0.4662
Brugia malayi G protein-coupled receptor F59B2.13 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Trypanosoma brucei phospholipase A1, putative 0.0402 1 1
Brugia malayi hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni myosin xvIII 0.0063 0.1345 0.4267
Echinococcus granulosus rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Brugia malayi follicle stimulating hormone receptor 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Onchocerca volvulus 0.0063 0.1345 0.1142
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Onchocerca volvulus 0.0063 0.1345 0.1142
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0063 0.1345 0.1345
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0063 0.1345 0.4267
Schistosoma mansoni hypothetical protein 0.0122 0.2844 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0063 0.1345 0.4662
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.0032 0.0562 0.0452
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.038 0.9444 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0063 0.1345 0.1345
Echinococcus multilocularis sex peptide receptor 0.0063 0.1345 0.4662
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0063 0.1345 0.4267
Schistosoma mansoni neuropeptide f receptor 76f 0.0063 0.1345 0.4267
Entamoeba histolytica glycogen phosphorylase, putative 0.0058 0.1218 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0063 0.1345 0.4267
Brugia malayi neuropeptide F receptor 0.0063 0.1345 0.1345
Echinococcus granulosus G protein coupled receptor 139 0.0063 0.1345 0.4662
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0063 0.1345 0.1345
Onchocerca volvulus 0.0063 0.1345 0.1142
Schistosoma mansoni neuropeptide receptor 0.0063 0.1345 0.4267
Schistosoma mansoni biogenic amine receptor 0.0063 0.1345 0.4267
Brugia malayi hypothetical protein 0.0063 0.1345 0.1345
Echinococcus multilocularis G protein coupled receptor 139 0.0063 0.1345 0.4662
Echinococcus granulosus biogenic amine 5HT receptor 0.0063 0.1345 0.4662
Schistosoma mansoni amine GPCR 0.0063 0.1345 0.4267
Echinococcus multilocularis rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Echinococcus multilocularis musashi 0.0019 0.023 0.0689
Echinococcus granulosus neuropeptides capa receptor 0.0063 0.1345 0.4662
Echinococcus multilocularis neuropeptides capa receptor 0.0063 0.1345 0.4662
Schistosoma mansoni hypothetical protein 0.0063 0.1345 0.4267
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni hypothetical protein 0.0063 0.1345 0.4267
Echinococcus granulosus rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Schistosoma mansoni amine GPCR 0.0063 0.1345 0.4267
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0063 0.1345 0.1345
Onchocerca volvulus Glycogen phosphorylase homolog 0.0058 0.1218 0.1011
Echinococcus multilocularis allatostatin A receptor 0.0063 0.1345 0.4662
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni hypothetical protein 0.0063 0.1345 0.4267
Echinococcus granulosus lamin dm0 0.0019 0.023 0.0689
Echinococcus multilocularis fmrfamide receptor 0.0063 0.1345 0.4662
Schistosoma mansoni biogenic amine receptor 0.0063 0.1345 0.4267
Brugia malayi Serotonin receptor 0.0063 0.1345 0.1345
Echinococcus multilocularis serotonin receptor 0.0063 0.1345 0.4662
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0184 0.4442 0.4378
Echinococcus multilocularis serotonin receptor 0.0063 0.1345 0.4662
Echinococcus granulosus neuropeptide receptor A26 0.0063 0.1345 0.4662
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Trichomonas vaginalis glycogen phosphorylase, putative 0.0058 0.1218 1
Echinococcus multilocularis g protein coupled receptor 0.0063 0.1345 0.4662
Echinococcus granulosus tm gpcr rhodopsin 0.0063 0.1345 0.4662
Brugia malayi hypothetical protein 0.0063 0.1345 0.1345
Echinococcus granulosus alpha 1A adrenergic receptor 0.0063 0.1345 0.4662
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Onchocerca volvulus 0.0063 0.1345 0.1142
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0115 0.0115
Echinococcus multilocularis rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Echinococcus multilocularis rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0063 0.1345 0.4662
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0063 0.1345 0.4662
Echinococcus multilocularis neuropeptide receptor A26 0.0063 0.1345 0.4662
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0063 0.1345 0.4267
Brugia malayi putative neuropeptide receptor 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Entamoeba histolytica fatty acid elongase, putative 0.0049 0.0996 0.7364
Echinococcus granulosus neuropeptide receptor 0.0063 0.1345 0.4662
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni opsin-like receptor 0.0063 0.1345 0.4267
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.038 0.9444 1
Brugia malayi Intermediate filament tail domain containing protein 0.0019 0.023 0.023
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0115 0.0115
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0063 0.1345 0.4662
Brugia malayi Dopamine receptor protein 1 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Brugia malayi intermediate filament protein 0.0019 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Entamoeba histolytica fatty acid elongase, putative 0.0049 0.0996 0.7364
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) glycogen phosphorylase 0.0058 0.1218 0.1218
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0063 0.1345 0.4662
Schistosoma mansoni opsin-like receptor 0.0063 0.1345 0.4267
Echinococcus granulosus hypothetical protein 0.0063 0.1345 0.4662
Echinococcus granulosus tm gpcr rhodopsin 0.0063 0.1345 0.4662
Schistosoma mansoni glycogen phosphorylase 0.0058 0.1218 0.3779
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni neuropeptide receptor 0.0063 0.1345 0.4267
Loa Loa (eye worm) melatonin receptor type 1A 0.0063 0.1345 0.1345
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0115 0.0115
Echinococcus multilocularis neuropeptide Y receptor 0.0063 0.1345 0.4662
Echinococcus multilocularis g-protein coupled receptor 0.0063 0.1345 0.4662
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0063 0.1345 0.4662
Schistosoma mansoni biogenic amine receptor 0.0063 0.1345 0.4267
Brugia malayi hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0063 0.1345 0.1345
Echinococcus granulosus neuropeptides capa receptor 0.0063 0.1345 0.4662
Entamoeba histolytica fatty acid elongase, putative 0.0049 0.0996 0.7364
Schistosoma mansoni histamine h1 receptor 0.0063 0.1345 0.4267
Echinococcus multilocularis dro:myosuppressin receptor 0.0063 0.1345 0.4662
Echinococcus multilocularis neuropeptide s receptor 0.0063 0.1345 0.4662
Echinococcus granulosus neuropeptide s receptor 0.0063 0.1345 0.4662
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.0032 0.0562 0.0452
Echinococcus granulosus rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0063 0.1345 0.4662
Brugia malayi RE15519p 0.0063 0.1345 0.1345
Brugia malayi Serotonin receptor 0.0063 0.1345 0.1345
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0063 0.1345 0.4267
Schistosoma mansoni neuropeptide F-like receptor 0.0063 0.1345 0.4267
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0063 0.1345 0.4662
Entamoeba histolytica glycogen phosphorylase, putative 0.0058 0.1218 1
Echinococcus granulosus dual specificity mitogen activated protein 0.0032 0.0562 0.1871
Echinococcus granulosus 7tm_1 domain containing protein 0.0063 0.1345 0.4662
Echinococcus granulosus tm gpcr rhodopsin 0.0063 0.1345 0.4662
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Echinococcus granulosus biogenic amine 5HT receptor 0.0063 0.1345 0.4662
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0063 0.1345 0.4662
Schistosoma mansoni neuropeptide receptor 0.0063 0.1345 0.4267
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0063 0.1345 0.4267
Onchocerca volvulus 0.0402 1 1
Onchocerca volvulus 0.0063 0.1345 0.1142
Brugia malayi larval opioid receptor 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Echinococcus granulosus orexin receptor type 2 0.0063 0.1345 0.4662
Onchocerca volvulus 0.0402 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Echinococcus multilocularis rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0063 0.1345 0.4267
Echinococcus multilocularis neuropeptides capa receptor 0.0063 0.1345 0.4662
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0063 0.1345 0.4267
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0063 0.1345 0.4662
Echinococcus multilocularis dual specificity mitogen activated protein 0.0032 0.0562 0.1871
Schistosoma mansoni amine GPCR 0.0063 0.1345 0.4267
Loa Loa (eye worm) G-protein coupled receptor 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) neuropeptide F receptor 0.0063 0.1345 0.1345
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0063 0.1345 0.4267
Brugia malayi Dopamine receptor 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0063 0.1345 0.4267
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0032 0.0562 0.0562
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Echinococcus granulosus g protein coupled receptor 0.0063 0.1345 0.4662
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0005
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0063 0.1345 0.1345
Echinococcus multilocularis rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Echinococcus granulosus Glycosyl transferase family 35 0.0058 0.1218 0.4208
Brugia malayi putative neuropeptide receptor NPR1 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Echinococcus granulosus somatostatin receptor 0.0063 0.1345 0.4662
Schistosoma mansoni biogenic amine (5HT) receptor 0.0063 0.1345 0.4267
Echinococcus granulosus glycogen phosphorylase 0.0058 0.1218 0.4208
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Schistosoma mansoni adenoreceptor 0.0063 0.1345 0.4267
Loa Loa (eye worm) hypothetical protein 0.0063 0.1345 0.1345
Trypanosoma cruzi phospholipase A1, putative 0.0402 1 1
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0025 0.0376 0.028
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0032 0.0562 0.0562
Echinococcus granulosus neuropeptide receptor 0.0063 0.1345 0.4662
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0063 0.1345 0.4662
Echinococcus multilocularis glycogen phosphorylase 0.0058 0.1218 0.4208
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0063 0.1345 0.4267
Brugia malayi G protein-coupled receptor 0.0063 0.1345 0.1345
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0063 0.1345 0.4662
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0063 0.1345 0.4662
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0063 0.1345 0.4662
Schistosoma mansoni glycogen phosphorylase 0.0025 0.0376 0.056
Echinococcus multilocularis rhodopsin orphan GPCR 0.0063 0.1345 0.4662
Schistosoma mansoni alpha-1 adrenergic receptor 0.0063 0.1345 0.4267
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0063 0.1345 0.4267
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0063 0.1345 0.4267
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.038 0.9444 1
Onchocerca volvulus 0.0063 0.1345 0.1142
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0063 0.1345 0.4267

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.6 nM Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated ChEMBL. 12182870
IC50 (binding) = 0.6 nM Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated ChEMBL. 12182870
IC50 (ADMET) = 19 uM Inhibition of cytochrome P450 3A4 ChEMBL. 12182870
IC50 (ADMET) = 19 uM Inhibition of cytochrome P450 3A4 ChEMBL. 12182870
Inhibition (binding) = 36 % Binding against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) in whole human plasma (10 nM) ChEMBL. 12182870
Inhibition (binding) = 36 % Binding against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) in whole human plasma (10 nM) ChEMBL. 12182870
Inhibition (binding) = 52 % Binding against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) in WHHL rabbit plasma (100 nM) ChEMBL. 12182870
Inhibition (binding) = 52 % Binding against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) in WHHL rabbit plasma (100 nM) ChEMBL. 12182870
Permeability (ADMET) = 0.002 cm hr-1 Permeability of compound was evaluated in an artifcial membrane permeability assay ChEMBL. 12182870

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

1 literature reference was collected for this gene.

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