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Ligand

NameCHEMBL3975985
Molecular formulaC28H32F3N5O
IUPAC name2-[6-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]-4-(trifluoromethyl)pyridin-3-yl]propan-2-ol
Molecular weight511.593
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.0
SynonymsSCHEMBL13491061
Inchi KeyCXKMJCQNQLTNKU-GOSISDBHSA-N
Inchi IDInChI=1S/C28H32F3N5O/c1-18-17-35(12-13-36(18)25-15-22(28(29,30)31)23(16-32-25)27(2,3)37)26-21-11-7-10-20(21)24(33-34-26)14-19-8-5-4-6-9-19/h4-6,8-9,15-16,18,37H,7,10-14,17H2,1-3H3/t18-/m1/s1
PubChem CID59191551
ChEMBLCHEMBL3975985
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
537295Smoothened homologP56726SmoMus musculus (Mouse)793
537296Smoothened homologQ99835SMOHomo sapiens (Human)787

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