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Ligand

NameCHEMBL117504
Molecular formulaC29H34F3N3O3
IUPAC name3-[(2R)-2-cyclopentyl-2-(propan-2-ylamino)ethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
Molecular weight529.604
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50149251
3-((R)-2-Cyclopentyl-2-isopropylamino-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
Inchi KeyADJBPNHWCPTGMK-DEOSSOPVSA-N
Inchi IDInChI=1S/C29H34F3N3O3/c1-17(2)33-24(19-9-5-6-10-19)16-35-28(36)26(20-11-7-14-25(38-4)27(20)32)18(3)34(29(35)37)15-21-22(30)12-8-13-23(21)31/h7-8,11-14,17,19,24,33H,5-6,9-10,15-16H2,1-4H3/t24-/m0/s1
PubChem CID44343779
ChEMBLCHEMBL117504
IUPHARN/A
BindingDB50149251
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2357Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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