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Ligand

NameCHEMBL3696783
Molecular formulaC18H20ClN5O2S
IUPAC nameN-[1-[5-chloro-4-(5-cyano-3-methylpyridin-2-yl)pyridin-2-yl]piperidin-4-yl]methanesulfonamide
Molecular weight405.901
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.3
SynonymsUS9056865, A-125
BDBM162998
SCHEMBL15169340
Inchi KeyCAEFZYVUNVRPNJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20ClN5O2S/c1-12-7-13(9-20)10-22-18(12)15-8-17(21-11-16(15)19)24-5-3-14(4-6-24)23-27(2,25)26/h7-8,10-11,14,23H,3-6H2,1-2H3
PubChem CID89736074
ChEMBLCHEMBL3696783
IUPHARN/A
BindingDB162998
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
459548Smoothened homologQ99835SMOHomo sapiens (Human)787

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