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Ligand

NameSCHEMBL1834663
Molecular formulaC24H31N7O
IUPAC name2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
Molecular weight433.56
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.9
SynonymsCHEMBL3944267
Inchi KeyGQWJKCWJQXXCSQ-MRXNPFEDSA-N
Inchi IDInChI=1S/C24H31N7O/c1-16-15-30(10-11-31(16)22-14-26-21(13-27-22)24(4,5)32)23-18(3)17(2)20(28-29-23)12-19-8-6-7-9-25-19/h6-9,13-14,16,32H,10-12,15H2,1-5H3/t16-/m1/s1
PubChem CID45100666
ChEMBLCHEMBL3944267
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
538512Smoothened homologP56726SmoMus musculus (Mouse)793
538513Smoothened homologQ99835SMOHomo sapiens (Human)787

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