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Ligand

NameCHEMBL1084736
Molecular formulaC27H23N5O
IUPAC name4-[4-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]phthalazin-1-yl]benzonitrile
Molecular weight433.515
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50320335
SCHEMBL1091512
(R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthalazin-1-yl)benzonitrile
Inchi KeyBNHNNXHEHWISKR-LJQANCHMSA-N
Inchi IDInChI=1S/C27H23N5O/c1-19-18-31(27(33)22-7-3-2-4-8-22)15-16-32(19)26-24-10-6-5-9-23(24)25(29-30-26)21-13-11-20(17-28)12-14-21/h2-14,19H,15-16,18H2,1H3/t19-/m1/s1
PubChem CID46891298
ChEMBLCHEMBL1084736
IUPHARN/A
BindingDB50320335
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
28119Smoothened homologQ99835SMOHomo sapiens (Human)787

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