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Ligand

NameCHEMBL3963716
Molecular formulaC20H23ClN4O4S
IUPAC name1-[5-chloro-4-(3-methylpyridin-2-yl)pyridin-2-yl]-N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methylazetidine-3-carboxamide
Molecular weight450.938
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP0.7
SynonymsN/A
Inchi KeyBDIUPYVIEMNOIL-IRXDYDNUSA-N
Inchi IDInChI=1S/C20H23ClN4O4S/c1-12-4-3-5-22-19(12)14-6-18(23-7-15(14)21)25-8-13(9-25)20(27)24(2)16-10-30(28,29)11-17(16)26/h3-7,13,16-17,26H,8-11H2,1-2H3/t16-,17-/m0/s1
PubChem CID134150954
ChEMBLCHEMBL3963716
IUPHARN/A
BindingDBN/A
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
548124Smoothened homologQ99835SMOHomo sapiens (Human)787

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