Details of the Drug

General Information of Drug (ID: DMHAJ6W)

Drug Name
3-isopropyl-4-(phenylamino)naphthalene-1,2-dione
Synonyms CHEMBL204939; 3-isopropyl-4-(phenylamino)naphthalene-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) 291.3
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H17NO2
IUPAC Name
4-anilino-3-propan-2-ylnaphthalene-1,2-dione
Canonical SMILES
CC(C)C1=C(C2=CC=CC=C2C(=O)C1=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H17NO2/c1-12(2)16-17(20-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(21)19(16)22/h3-12,20H,1-2H3
InChIKey
HHIYZEJIOLXXOB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44409841
ChEBI ID
CHEMBL204939
TTD ID
D0X5WD
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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.