General Information of Drug (ID: DMYZCWX)

Drug Name
3-isopropyl-4-phenylnaphthalene-1,2-dione
Synonyms CHEMBL207833; 3-isopropyl-4-phenylnaphthalene-1,2-dione
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) 276.3
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H16O2
IUPAC Name
4-phenyl-3-propan-2-ylnaphthalene-1,2-dione
Canonical SMILES
CC(C)C1=C(C2=CC=CC=C2C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H16O2/c1-12(2)16-17(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(20)19(16)21/h3-12H,1-2H3
InChIKey
ZMFOKOSZYNMITK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44409685
TTD ID
D07JRA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
M-phase inducer phosphatase 1 (MPIP1) TTLZS4Q MPIP1_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 Synthesis of miltirone analogues as inhibitors of Cdc25 phosphatases. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1905-8.