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Ligand

NameCHEMBL499849
Molecular formulaC29H26F4N4O4
IUPAC name2-[[4-[3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidin-5-yl]phenyl]methylamino]acetic acid
Molecular weight570.545
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP0.8
SynonymsBDBM50260755
(R)-2-(4-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzylamino)acetic acid
Inchi KeyBDBGKADVAYPDNK-VWLOTQADSA-N
Inchi IDInChI=1S/C29H26F4N4O4/c30-24-8-4-7-23(29(31,32)33)22(24)16-36-15-21(19-11-9-18(10-12-19)13-35-14-26(38)39)27(40)37(28(36)41)17-25(34)20-5-2-1-3-6-20/h1-12,15,25,35H,13-14,16-17,34H2,(H,38,39)/t25-/m0/s1
PubChem CID44593614
ChEMBLCHEMBL499849
IUPHARN/A
BindingDB50260755
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20759Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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