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Ligand

NameCHEMBL3680211
Molecular formulaC31H31ClFN3O4
IUPAC name(4-fluorophenyl) N-[(3S,4R)-4-(4-chlorophenyl)-4-methyl-1-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrolidin-3-yl]-N-methylcarbamate
Molecular weight564.054
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.5
SynonymsBDBM109746
SCHEMBL10277082
US8618303, 36
Inchi KeyAMXZZYNDDNSEEE-JOMNFKBKSA-N
Inchi IDInChI=1S/C31H31ClFN3O4/c1-31(22-8-10-23(32)11-9-22)20-35(19-27(31)34(2)30(39)40-26-16-12-24(33)13-17-26)29(38)21-6-14-25(15-7-21)36-18-4-3-5-28(36)37/h6-17,27H,3-5,18-20H2,1-2H3/t27-,31+/m1/s1
PubChem CID57415121
ChEMBLCHEMBL3680211
IUPHARN/A
BindingDB109746
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
9348Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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