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Ligand

NameCHEMBL497218
Molecular formulaC26H22N6O2
IUPAC name4-[[4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-yl]methyl]benzoic acid
Molecular weight450.502
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50268549
SCHEMBL13445098
4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-ylmethyl}benzoic Acid
Inchi KeyAOFZFQXTMXXBDW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H22N6O2/c27-16-19-7-10-24(28-17-19)31-11-13-32(14-12-31)25-22-4-2-1-3-21(22)23(29-30-25)15-18-5-8-20(9-6-18)26(33)34/h1-10,17H,11-15H2,(H,33,34)
PubChem CID44186114
ChEMBLCHEMBL497218
IUPHARN/A
BindingDB50268549
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
10212Smoothened homologP56726SmoMus musculus (Mouse)793
10213Smoothened homologQ99835SMOHomo sapiens (Human)787

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