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Ligand

NameCHEMBL3891652
Molecular formulaC22H27ClN4O2
IUPAC name1-[5-chloro-4-(3-methylpyridin-2-yl)pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
Molecular weight414.934
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsN/A
Inchi KeyBZNDFZAVUBXGOV-KRWDZBQOSA-N
Inchi IDInChI=1S/C22H27ClN4O2/c1-15-4-2-8-24-21(15)18-12-20(25-14-19(18)23)27-9-6-16(7-10-27)22(28)26-13-17-5-3-11-29-17/h2,4,8,12,14,16-17H,3,5-7,9-11,13H2,1H3,(H,26,28)/t17-/m0/s1
PubChem CID134137372
ChEMBLCHEMBL3891652
IUPHARN/A
BindingDBN/A
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
548319Smoothened homologQ99835SMOHomo sapiens (Human)787

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