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Ligand

NameCHEMBL497003
Molecular formulaC23H22N6
IUPAC name1-(pyridin-4-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
Molecular weight382.471
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50268375
MCULE-1202859481
1-(4-pyridylmethyl)-4-[4-(2-pyridyl)piperazino]phthalazine
SCHEMBL3613533
AKOS004916945
[ Show all ]
Inchi KeyHVCKRXNCZNJASA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N6/c1-2-6-20-19(5-1)21(17-18-8-11-24-12-9-18)26-27-23(20)29-15-13-28(14-16-29)22-7-3-4-10-25-22/h1-12H,13-17H2
PubChem CID20875737
ChEMBLCHEMBL497003
IUPHARN/A
BindingDB50268375
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
124842Smoothened homologP56726SmoMus musculus (Mouse)793
124843Smoothened homologQ99835SMOHomo sapiens (Human)787

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