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Ligand

NameCHEMBL2180550
Molecular formulaC24H29ClN2O3
IUPAC nameN-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
Molecular weight428.957
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.2
SynonymsSCHEMBL2160090
AMYMXOZDTLBQEV-UHFFFAOYSA-N
BDBM50399270
N-(1-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl)benzamide
Inchi KeyAMYMXOZDTLBQEV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29ClN2O3/c1-17(2)16-21(26-22(28)18-6-4-3-5-7-18)23(29)27-14-12-24(30,13-15-27)19-8-10-20(25)11-9-19/h3-11,17,21,30H,12-16H2,1-2H3,(H,26,28)
PubChem CID57889972
ChEMBLCHEMBL2180550
IUPHARN/A
BindingDB50399270
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
9358C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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