General Information of the Compound
Compound ID
CP0121350
Compound Name
8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE
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Synonyms
NU1025
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Structure
Formula
C9H8N2O2
Molecular Weight
176.175
Canonical SMILES
Cc1nc2c(O)cccc2c(=O)[nH]1
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InChI
InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)
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InChIKey
YJDAOHJWLUNFLX-UHFFFAOYSA-N
Physicochemical Property
logP
0.93712
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
65.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 135398517
SID: 14748258
ChEMBL ID
CHEMBL123904
DrugBank ID
DB02690
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 = 400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NU1025 )
Drug Name NU1025
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
Inhibitor