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Ligand

NameCHEMBL3915468
Molecular formulaC27H27ClF3N3O3
IUPAC name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]piperidine-4-carboxamide
Molecular weight533.976
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM243831
US9428456, 2.034
Inchi KeyADULQKNSCDPBOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27ClF3N3O3/c1-17-13-21(24(37-17)27(29,30)31)15-32-25(35)20-9-11-34(12-10-20)16-18-3-2-4-23(14-18)33-26(36)19-5-7-22(28)8-6-19/h2-8,13-14,20H,9-12,15-16H2,1H3,(H,32,35)(H,33,36)
PubChem CID129626152
ChEMBLCHEMBL3915468
IUPHARN/A
BindingDB243831
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
533922Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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