General Information of the Compound
Compound ID
CP0057060
Compound Name
2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one
    Show/Hide
Synonyms
2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one
    Show/Hide
Structure
Formula
C15H12N2O2
Molecular Weight
252.273
Canonical SMILES
Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
    Show/Hide
InChI
InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
    Show/Hide
InChIKey
NIPIEXNSQBQPML-UHFFFAOYSA-N
Physicochemical Property
logP
2.60412
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
65.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 135471354
SID: 15515557
ChEMBL ID
CHEMBL125244
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 = 220 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one )
Drug Name 2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
Inhibitor