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Ligand

NameCHEMBL3692736
Molecular formulaC20H26ClN5O
IUPAC nameN-[1-[5-chloro-4-(3-methylpyridin-2-yl)pyridin-2-yl]piperidin-4-yl]-2-(dimethylamino)acetamide
Molecular weight387.912
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsUS9056865, A-31
BDBM162904
SCHEMBL15169282
Inchi KeyAWKXNZGHJLWBIP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26ClN5O/c1-14-5-4-8-22-20(14)16-11-18(23-12-17(16)21)26-9-6-15(7-10-26)24-19(27)13-25(2)3/h4-5,8,11-12,15H,6-7,9-10,13H2,1-3H3,(H,24,27)
PubChem CID89736028
ChEMBLCHEMBL3692736
IUPHARN/A
BindingDB162904
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
459357Smoothened homologQ99835SMOHomo sapiens (Human)787

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