Details of the Drug

General Information of Drug (ID: DMNDVMH)

Drug Name
1H-indole-4,7-dione
Synonyms
Indole-4,7-dione; 1H-Indole-4,7-dione; 20342-64-7; indole-4,7-quinone; CHEBI:51637; Indolequinone, 19; AC1L483C; CHEMBL500863; SCHEMBL1650480; CTK1A3633; BDBM21979; DTXSID20174252; ZINC6091591; 4,7-dihydro-1H-indole-4,7-dione; AKOS006347266
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) 147.13
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C8H5NO2
IUPAC Name
1H-indole-4,7-dione
Canonical SMILES
C1=CC(=O)C2=C(C1=O)C=CN2
InChI
InChI=1S/C8H5NO2/c10-6-1-2-7(11)8-5(6)3-4-9-8/h1-4,9H
InChIKey
QMRIWYCCTCNABA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
152300
ChEBI ID
CHEMBL51637
CAS Number
20342-64-7
TTD ID
D0TM0Z
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
Indoleamine 2,3-dioxygenase 1 (IDO1) TTZJYKH I23O1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis of indoleamine 2,3-dioxygenase inhibitory analogues of the sponge alkaloid exiguamine A. J Med Chem. 2008 May 8;51(9):2634-7.