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Ligand

NameCHEMBL495875
Molecular formulaC25H24N6O
IUPAC name6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxamide
Molecular weight424.508
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50269083
SCHEMBL3605565
6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinamide
Inchi KeyBXINLBSXEZUXRW-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24N6O/c26-24(32)19-10-11-23(27-17-19)30-12-14-31(15-13-30)25-21-9-5-4-8-20(21)22(28-29-25)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H2,26,32)
PubChem CID25065064
ChEMBLCHEMBL495875
IUPHARN/A
BindingDB50269083
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35109Smoothened homologQ99835SMOHomo sapiens (Human)787
35110Smoothened homologP56726SmoMus musculus (Mouse)793

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