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Ligand

NameCHEMBL3680182
Molecular formulaC25H28ClFN2O4
IUPAC name(4-fluorophenyl) N-[(3R,4S)-4-(4-chlorophenyl)-3-methyl-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-N-methylcarbamate
Molecular weight474.957
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM109715
SCHEMBL10277404
US8618303, 5
Inchi KeyBJTAJNDBLIZIKB-RDGATRHJSA-N
Inchi IDInChI=1S/C25H28ClFN2O4/c1-25(28(2)24(31)33-21-9-7-20(27)8-10-21)16-29(23(30)18-11-13-32-14-12-18)15-22(25)17-3-5-19(26)6-4-17/h3-10,18,22H,11-16H2,1-2H3/t22-,25+/m1/s1
PubChem CID57414354
ChEMBLCHEMBL3680182
IUPHARN/A
BindingDB109715
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
25437Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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