General Information of the Compound
Compound ID
CP0461196
Compound Name
8-Methoxy-2-methyl-3H-quinazolin-4-one
    Show/Hide
Synonyms
8-Methoxy-2-methyl-3H-quinazolin-4-one
    Show/Hide
Structure
Formula
C10H10N2O2
Molecular Weight
190.202
Canonical SMILES
COc1cccc2c1nc(C)[nH]c2=O
    Show/Hide
InChI
InChI=1S/C10H10N2O2/c1-6-11-9-7(10(13)12-6)4-3-5-8(9)14-2/h3-5H,1-2H3,(H,11,12,13)
    Show/Hide
InChIKey
ZWCBMSNYXIFTCM-UHFFFAOYSA-N
Physicochemical Property
logP
1.24012
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
54.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 135411146
SID: 15811894
ChEMBL ID
CHEMBL435871
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 = 780 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-Methoxy-2-methyl-3H-quinazolin-4-one )
Drug Name 8-Methoxy-2-methyl-3H-quinazolin-4-one
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
Inhibitor