Details of the Drug

General Information of Drug (ID: DMTLYDS)

Drug Name

2-hydroxyisoquinoline-1,3(2H,4H)-dione

Synonyms

2-hydroxyisoquinoline-1,3(2H,4H)-dione; 6890-08-0; CHEMBL16755; 2-Hydroxy-4H-isoquinoline-1,3-dione; 1,3(2H,4H)-Isoquinolinedione, 2-hydroxy-; 2-hydroxy-1,2,3,4-tetrahydroisoquinoline-1,3-dione; 0N7; AC1LAHYL; N-hydroxyisoquinolinedione, 2; SCHEMBL3358267; BDBM33410; DTXSID70333610; ZINC3626195; 0637AC; AKOS016011468; FCH1154656; ACN-049309; AJ-45130; 2-Hydroxy-1,3(2H,4H)-isoquinolinedione; KB-230940; AX8246098

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

177.16

Logarithm of the Partition Coefficient (xlogp)

0.3

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H7NO3
IUPAC Name: 2-hydroxy-4H-isoquinoline-1,3-dione
Canonical SMILES: C1C2=CC=CC=C2C(=O)N(C1=O)O
InChI: InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
InChIKey: ZXAICCBFIBBVAR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 514100
CAS Number: 6890-08-0
TTD ID: D05SSB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Ribonuclease H (HIV RNH)	TT37KAF	POL_HV1B1	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information. J Med Chem. 2009 Oct 8;52(19):5781-4.