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Ligand

NameCHEMBL3956018
Molecular formulaC27H34FN3O2
IUPAC nameN-cyclohexyl-1-[[3-[(2-fluoro-5-methylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight451.586
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM243878
US9428456, 1.116
Inchi KeyDIECZNKEYJZXHK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34FN3O2/c1-19-10-11-25(28)24(16-19)27(33)30-23-9-5-6-20(17-23)18-31-14-12-21(13-15-31)26(32)29-22-7-3-2-4-8-22/h5-6,9-11,16-17,21-22H,2-4,7-8,12-15,18H2,1H3,(H,29,32)(H,30,33)
PubChem CID72705979
ChEMBLCHEMBL3956018
IUPHARN/A
BindingDB243878
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
534182Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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