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Ligand

NameCHEMBL3938334
Molecular formulaC30H41N9O
IUPAC name5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
Molecular weight543.72
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.7
SynonymsSCHEMBL13491127
Inchi KeyAHQWNOPSANGZRN-JOCHJYFZSA-N
Inchi IDInChI=1S/C30H41N9O/c1-22-21-38(29-24(3)23(2)26(34-35-29)18-25-8-6-5-7-9-25)16-17-39(22)28-20-32-27(19-33-28)30(40)31-10-11-37-14-12-36(4)13-15-37/h5-9,19-20,22H,10-18,21H2,1-4H3,(H,31,40)/t22-/m1/s1
PubChem CID59191629
ChEMBLCHEMBL3938334
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536086Smoothened homologP56726SmoMus musculus (Mouse)793
536087Smoothened homologQ99835SMOHomo sapiens (Human)787

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