General Information of the Compound
Compound ID
CP0274971
Compound Name
2,8-Dimethyl-3H-quinazolin-4-one
    Show/Hide
Synonyms
2,8-Dimethyl-3H-quinazolin-4-one
    Show/Hide
Structure
Formula
C10H10N2O
Molecular Weight
174.203
Canonical SMILES
Cc1nc2c(C)cccc2c(=O)[nH]1
    Show/Hide
InChI
InChI=1S/C10H10N2O/c1-6-4-3-5-8-9(6)11-7(2)12-10(8)13/h3-5H,1-2H3,(H,11,12,13)
    Show/Hide
InChIKey
CJXMJXBJIWEHRP-UHFFFAOYSA-N
Physicochemical Property
logP
1.53994
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
45.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 135463574
SID: 15561406
ChEMBL ID
CHEMBL151549
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 = 390 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2,8-Dimethyl-3H-quinazolin-4-one )
Drug Name 2,8-Dimethyl-3H-quinazolin-4-one
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
Inhibitor