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
CAS Number
7473-19-0
TTD ID
D07REK

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.