General Information of the Compound
Compound ID
CP0089024
Compound Name
2-hydroxy-4H-isoquinoline-1,3-dione
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Synonyms
0637AC
0N7
1,3(2H,4H)-Isoquinolinedione, 2-hydroxy-
2-Hydroxy-1,3(2H,4H)-isoquinolinedione
2-Hydroxy-4H-isoquinoline-1,3-dione
2-hydroxy-1,2,3,4-tetrahydroisoquinoline-1,3-dione
2-hydroxyisoquinoline-1,3(2H,4H)-dione
6890-08-0
AC1LAHYL
ACN-049309
AJ-45130
AKOS016011468
AX8246098
BDBM33410
CHEMBL16755
DTXSID70333610
FCH1154656
KB-230940
N-hydroxyisoquinolinedione, 2
SCHEMBL3358267
ZINC3626195
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Structure
Formula
C9H7NO3
Molecular Weight
177.159
Canonical SMILES
ON1C(=O)Cc2ccccc2C1=O
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InChI
InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
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InChIKey
ZXAICCBFIBBVAR-UHFFFAOYSA-N
Physicochemical Property
logP
0.6007
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
57.61
Hydrogen Bond Donor Count
1
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: 514100
SID: 15462560
ChEMBL ID
CHEMBL16755
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: PT01174, Polymerase acidic protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 = 3220 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 15000 nM
2 Ki = 850 nM
Clinical Information about the Compound
Drug 1 ( 2-hydroxyisoquinoline-1,3(2H,4H)-dione )
Drug Name 2-hydroxyisoquinoline-1,3(2H,4H)-dione