Details of the Drug

General Information of Drug (ID: DMUN7KC)

Drug Name
4-ethoxynaphthalene-1,2-dione
Synonyms
4-ethoxynaphthalene-1,2-dione; 4-ethoxy-1,2-naphthoquinone; CHEMBL50620; 4-Ethoxy-[1,2]naphthoquinone; 7473-19-0; NSC400247; AC1L7Z1H; 4-Ethoxy-1,2-naphthalenedione; SCHEMBL5595641; DTXSID70322029; XPXODXIULRDWNT-UHFFFAOYSA-N; 1,2-Naphthalenedione, 4-ethoxy-; ZINC1593117; BDBM50099736
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) 202.21
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H10O3
IUPAC Name
4-ethoxynaphthalene-1,2-dione
Canonical SMILES
CCOC1=CC(=O)C(=O)C2=CC=CC=C21
InChI
InChI=1S/C12H10O3/c1-2-15-11-7-10(13)12(14)9-6-4-3-5-8(9)11/h3-7H,2H2,1H3
InChIKey
XPXODXIULRDWNT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
343759
ChEBI ID
CHEMBL50620
CAS Number
7473-19-0
TTD ID
D07REK
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dual specificity protein phosphatase 1 (DUSP1) TTG8HIM DUS1_HUMAN Inhibitor [1]
M-phase inducer phosphatase 2 (MPIP2) TTR0SWN MPIP2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Bioactivities of simplified adociaquinone B and naphthoquinone derivatives against Cdc25B, MKP-1, and MKP-3 phosphatases. Bioorg Med Chem. 2009 Mar 15;17(6):2276-81.