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Ligand

NameCHEMBL1209190
Molecular formulaC28H27N5O2
IUPAC name2-[4-[4-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]phthalazin-1-yl]phenyl]acetamide
Molecular weight465.557
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50323133
(R)-2-(4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthalazin-1-yl)phenyl)acetamide
Inchi KeyCHFXIDUMOCYPOA-LJQANCHMSA-N
Inchi IDInChI=1S/C28H27N5O2/c1-19-18-32(28(35)22-7-3-2-4-8-22)15-16-33(19)27-24-10-6-5-9-23(24)26(30-31-27)21-13-11-20(12-14-21)17-25(29)34/h2-14,19H,15-18H2,1H3,(H2,29,34)/t19-/m1/s1
PubChem CID49862270
ChEMBLCHEMBL1209190
IUPHARN/A
BindingDB50323133
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
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GLASS IDNameUniProtGeneSpeciesLength
41952Smoothened homologQ99835SMOHomo sapiens (Human)787

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