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Ligand

NameCHEMBL1084730
Molecular formulaC29H28N4O
IUPAC name[(3R)-4-[4-(4-cyclopropylphenyl)phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone
Molecular weight448.57
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.5
SynonymsBDBM50320339
(R)-(4-(4-(4-cyclopropylphenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
Inchi KeyCBJPPBRKQOIGLI-HXUWFJFHSA-N
Inchi IDInChI=1S/C29H28N4O/c1-20-19-32(29(34)24-7-3-2-4-8-24)17-18-33(20)28-26-10-6-5-9-25(26)27(30-31-28)23-15-13-22(14-16-23)21-11-12-21/h2-10,13-16,20-21H,11-12,17-19H2,1H3/t20-/m1/s1
PubChem CID46891245
ChEMBLCHEMBL1084730
IUPHARN/A
BindingDB50320339
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37942Smoothened homologQ99835SMOHomo sapiens (Human)787

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