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Ligand

NameCHEMBL3920191
Molecular formulaC25H28N6O2
IUPAC namemethyl 5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
Molecular weight444.539
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.5
SynonymsSCHEMBL13491041
Inchi KeyAUJCBNXMODHUDL-QGZVFWFLSA-N
Inchi IDInChI=1S/C25H28N6O2/c1-17-16-30(11-12-31(17)23-15-26-22(14-27-23)25(32)33-2)24-20-10-6-9-19(20)21(28-29-24)13-18-7-4-3-5-8-18/h3-5,7-8,14-15,17H,6,9-13,16H2,1-2H3/t17-/m1/s1
PubChem CID59191623
ChEMBLCHEMBL3920191
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
536368Smoothened homologQ99835SMOHomo sapiens (Human)787
536369Smoothened homologP56726SmoMus musculus (Mouse)793

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