General Information of the Compound
Compound ID
CP0226469
Compound Name
8-Methyl-2-phenyl-3H-quinazolin-4-one
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Synonyms
8-Methyl-2-phenyl-3H-quinazolin-4-one
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Structure
Formula
C15H12N2O
Molecular Weight
236.274
Canonical SMILES
Cc1cccc2c1nc([nH]c2=O)-c1ccccc1
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InChI
InChI=1S/C15H12N2O/c1-10-6-5-9-12-13(10)16-14(17-15(12)18)11-7-3-2-4-8-11/h2-9H,1H3,(H,16,17,18)
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InChIKey
WLZJEOODSSBWMB-UHFFFAOYSA-N
Physicochemical Property
logP
2.89852
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
45.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 135531482
SID: 15639697
ChEMBL ID
CHEMBL124749
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01646, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000266 L1210 Mus musculus (Mouse)  1
1
IC50 = 870 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-Methyl-2-phenyl-3H-quinazolin-4-one )
Drug Name 8-Methyl-2-phenyl-3H-quinazolin-4-one
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
Inhibitor