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Ligand

NameSCHEMBL1832485
Molecular formulaC25H29N5O
IUPAC nameN-benzyl-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)piperazine-1-carboxamide
Molecular weight415.541
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
SynonymsCHEMBL3979837
4-(6-benzyl-4,5-dimethyl-pyridazin-3-yl)-piperazine-1-carboxylic acid benzylamide
HAYUVEQIUAPPLD-UHFFFAOYSA-N
Inchi KeyHAYUVEQIUAPPLD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N5O/c1-19-20(2)24(28-27-23(19)17-21-9-5-3-6-10-21)29-13-15-30(16-14-29)25(31)26-18-22-11-7-4-8-12-22/h3-12H,13-18H2,1-2H3,(H,26,31)
PubChem CID67177399
ChEMBLCHEMBL3979837
IUPHARN/A
BindingDBN/A
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
538679Smoothened homologP56726SmoMus musculus (Mouse)793
538680Smoothened homologQ99835SMOHomo sapiens (Human)787

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