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Ligand

NameCHEMBL2398737
Molecular formulaC26H33ClN2O3
IUPAC nameN-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
Molecular weight457.011
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50436286
SCHEMBL12397989
Inchi KeyBTTPMBZRAKDLHK-BVAGGSTKSA-N
Inchi IDInChI=1S/C26H33ClN2O3/c1-18(2)23(28-22(30)16-19-8-6-5-7-9-19)24(31)29-15-14-26(32,25(3,4)17-29)20-10-12-21(27)13-11-20/h5-13,18,23,32H,14-17H2,1-4H3,(H,28,30)/t23-,26+/m1/s1
PubChem CID57889897
ChEMBLCHEMBL2398737
IUPHARN/A
BindingDB50436286
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
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GLASS IDNameUniProtGeneSpeciesLength
32689C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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