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Ligand

NameSCHEMBL2713676
Molecular formulaC21H25ClN4O2
IUPAC name1-[5-chloro-4-(3-methylpyridin-2-yl)pyridin-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
Molecular weight400.907
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.7
SynonymsUS9056865, A-78
CHEMBL3696737
BDBM162951
Inchi KeyBZNIPQGIZHOORN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25ClN4O2/c1-14-3-2-7-23-20(14)17-11-19(24-12-18(17)22)26-8-4-15(5-9-26)21(27)25-16-6-10-28-13-16/h2-3,7,11-12,15-16H,4-6,8-10,13H2,1H3,(H,25,27)
PubChem CID67508735
ChEMBLCHEMBL3696737
IUPHARN/A
BindingDB162951
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
467429Smoothened homologQ99835SMOHomo sapiens (Human)787

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