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: CHEBI:51637
CAS Number: 20342-64-7
TTD ID: D0TM0Z

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)

MIA Detail

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.