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Ligand

NameCHEMBL512663
Molecular formulaC23H32ClFN2
IUPAC nameN-(1-adamantylmethyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-amine
Molecular weight390.971
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50413570
CHEMBL1187629
Inchi KeyALBVJLPJWBKRIC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32ClFN2/c24-20-2-1-19(22(25)10-20)14-27-5-3-21(4-6-27)26-15-23-11-16-7-17(12-23)9-18(8-16)13-23/h1-2,10,16-18,21,26H,3-9,11-15H2
PubChem CID44592264
ChEMBLN/A
IUPHARN/A
BindingDB50413570
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8109C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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