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Ligand

NameSCHEMBL2712050
Molecular formulaC18H21ClN4O2
IUPAC namemethyl 4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazine-1-carboxylate
Molecular weight360.842
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.9
SynonymsUS9056865, A-101
CHEMBL3696760
BDBM162974
Inchi KeyCAPSJRIYUZHTNY-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21ClN4O2/c1-12-8-13(2)17(21-10-12)14-9-16(20-11-15(14)19)22-4-6-23(7-5-22)18(24)25-3/h8-11H,4-7H2,1-3H3
PubChem CID67507994
ChEMBLCHEMBL3696760
IUPHARN/A
BindingDB162974
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
459552Smoothened homologQ99835SMOHomo sapiens (Human)787

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