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Ligand

NameCHEMBL523255
Molecular formulaC27H28N6O
IUPAC nameN-[[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]methyl]acetamide
Molecular weight452.562
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsN-{6-[4-(4-Benzyl-phthalazin-1-yl)-piperazin-1-yl]-pyridin-3-ylmethyl}-acetamide
N-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}acetamide
BDBM50269111
FVUDSNFHNJZONL-UHFFFAOYSA-N
SCHEMBL3607196
Inchi KeyFVUDSNFHNJZONL-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N6O/c1-20(34)28-18-22-11-12-26(29-19-22)32-13-15-33(16-14-32)27-24-10-6-5-9-23(24)25(30-31-27)17-21-7-3-2-4-8-21/h2-12,19H,13-18H2,1H3,(H,28,34)
PubChem CID25065894
ChEMBLCHEMBL523255
IUPHARN/A
BindingDB50269111
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
88511Smoothened homologP56726SmoMus musculus (Mouse)793
88512Smoothened homologQ99835SMOHomo sapiens (Human)787

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