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Ligand

NameCHEMBL131665
Molecular formulaC41H42FN5O4
IUPAC namecyclopentyl 8-cyano-7-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate
Molecular weight687.816
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP7.2
Synonyms8-Cyano-7-(4-cyclopentyloxy-phenyl)-1-(2-fluoro-benzyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid cyclopentyl ester
1-(2-Fluorobenzyl)-4-oxo-6-[methyl[2-(2-pyridinyl)ethyl]aminomethyl]-7-[4-(cyclopentyloxy)phenyl]-8-cyano-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid cyclopentyl ester
BDBM50109207
Inchi KeyBJIUDYSNIPRIDK-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H42FN5O4/c1-45(23-21-30-11-8-9-22-44-30)27-37-38(28-17-19-33(20-18-28)50-31-12-3-4-13-31)34(24-43)39-46(25-29-10-2-7-16-36(29)42)26-35(40(48)47(37)39)41(49)51-32-14-5-6-15-32/h2,7-11,16-20,22,26,31-32H,3-6,12-15,21,23,25,27H2,1H3
PubChem CID44352657
ChEMBLCHEMBL131665
IUPHARN/A
BindingDB50109207
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25166Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328
25167Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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