Details of the Drug

General Information of Drug (ID: DMKNQW4)

Drug Name
7,8-dichloroquinoline-4-one-3-carboxylic acid
Synonyms
300675-28-9; 7,8-DICHLORO-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID; 144061-33-6; 7,8-dichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 7,8-dichloro-4-oxo-1H-quinoline-3-carboxylic Acid; CHEMBL218566; 7,8-Dichloro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; J-650168; 7,8-dichloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; AC1LEVOV; Oprea1_635608; Oprea1_583373; SCHEMBL9654331; SCHEMBL17502115; CTK7I6370; CHEBI:94582; DTXSID00351180; MolPort-000-680-344; MolPort-000-651-074; ZINC3945161; STK539875; MFCD01909987
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 258.05
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H5Cl2NO3
IUPAC Name
7,8-dichloro-4-oxo-1H-quinoline-3-carboxylic acid
Canonical SMILES
C1=CC(=C(C2=C1C(=O)C(=CN2)C(=O)O)Cl)Cl
InChI
InChI=1S/C10H5Cl2NO3/c11-6-2-1-4-8(7(6)12)13-3-5(9(4)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey
HVXHDYSWCHQWBD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
693139
ChEBI ID
CHEMBL218566
CAS Number
144061-33-6
TTD ID
D0V5HG
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Casein kinase II alpha (CSNK2A1) TTER6YH CSK21_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Casein kinase II alpha (CSNK2A1) DTT CSNK2A1 6.82E-04 0.29 2.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2. J Med Chem. 2006 Nov 2;49(22):6443-50.