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Ligand

NameCHEMBL1209249
Molecular formulaC25H23N5O
IUPAC name[(3R)-3-methyl-4-(4-pyridin-3-ylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone
Molecular weight409.493
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50323135
SCHEMBL1091068
(R)-(3-methyl-4-(4-(pyridin-3-yl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
Inchi KeyAKOJLDAHTHCOQS-GOSISDBHSA-N
Inchi IDInChI=1S/C25H23N5O/c1-18-17-29(25(31)19-8-3-2-4-9-19)14-15-30(18)24-22-12-6-5-11-21(22)23(27-28-24)20-10-7-13-26-16-20/h2-13,16,18H,14-15,17H2,1H3/t18-/m1/s1
PubChem CID49862312
ChEMBLCHEMBL1209249
IUPHARN/A
BindingDB50323135
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7737Smoothened homologQ99835SMOHomo sapiens (Human)787

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