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Ligand

NameSCHEMBL2714478
Molecular formulaC19H23ClN4O
IUPAC name1-[4-[5-chloro-4-(3-methylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
Molecular weight358.87
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.2
SynonymsUS9056865, A-44
CHEMBL3692749
BDBM162917
Inchi KeyBXHFCZLCYKOSOW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23ClN4O/c1-13(2)19(25)24-9-7-23(8-10-24)17-11-15(16(20)12-22-17)18-14(3)5-4-6-21-18/h4-6,11-13H,7-10H2,1-3H3
PubChem CID67509172
ChEMBLCHEMBL3692749
IUPHARN/A
BindingDB162917
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
459528Smoothened homologQ99835SMOHomo sapiens (Human)787

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