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Ligand

NameCHEMBL470839
Molecular formulaC23H32ClFN2
IUPAC nameN-(2-adamantylmethyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-amine
Molecular weight390.971
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.9
SynonymsBDBM50413569
Inchi KeyBXYLEDMNAVGSPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32ClFN2/c24-20-2-1-17(23(25)12-20)14-27-5-3-21(4-6-27)26-13-22-18-8-15-7-16(10-18)11-19(22)9-15/h1-2,12,15-16,18-19,21-22,26H,3-11,13-14H2
PubChem CID44592222
ChEMBLCHEMBL470839
IUPHARN/A
BindingDB50413569
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
35570C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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