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Ligand

NameCHEMBL3696804
Molecular formulaC19H23ClN4O3S
IUPAC name1-[4-[5-chloro-6-(5-methylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one
Molecular weight422.928
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.5
SynonymsBDBM163020
SCHEMBL10119992
US9056865, A-147
Inchi KeyAJKBDTUEJZYFPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23ClN4O3S/c1-14-3-5-16(21-13-14)19-15(20)4-6-17(22-19)23-8-10-24(11-9-23)18(25)7-12-28(2,26)27/h3-6,13H,7-12H2,1-2H3
PubChem CID68039818
ChEMBLCHEMBL3696804
IUPHARN/A
BindingDB163020
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
459281Smoothened homologQ99835SMOHomo sapiens (Human)787

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