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Ligand

NameCHEMBL497238
Molecular formulaC26H24N6
IUPAC name6-[(3S)-4-(4-benzylphthalazin-1-yl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
Molecular weight420.52
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50268612
SCHEMBL3614480
6-[(S)-4-(4-Benzylphthalazin-1-yl)-3-methylpiperazin-1-yl]nicotinonitrile
Inchi KeyAOYORYCIQQUHIQ-IBGZPJMESA-N
Inchi IDInChI=1S/C26H24N6/c1-19-18-31(25-12-11-21(16-27)17-28-25)13-14-32(19)26-23-10-6-5-9-22(23)24(29-30-26)15-20-7-3-2-4-8-20/h2-12,17,19H,13-15,18H2,1H3/t19-/m0/s1
PubChem CID44186482
ChEMBLCHEMBL497238
IUPHARN/A
BindingDB50268612
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
10757Smoothened homologQ99835SMOHomo sapiens (Human)787
10758Smoothened homologP56726SmoMus musculus (Mouse)793

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