Details of the Drug

General Information of Drug (ID: DMBVGAO)

Drug Name
2-aminophenoxazine-3-one
Synonyms
Questiomycin A; 2-Amino-3H-phenoxazin-3-one; 2-Aminophenoxazin-3-one; 1916-59-2; 2-Aminophenoxazon; 2-Aminophenoxazone; 3-Aminophenoxazone; 2-Amino-3-phenoxazone; 3H-Phenoxazin-3-one, 2-amino-; Isophenoxazine; 2-amino-phenoxazin-3-one; NSC 94945; MLS000736964; CHEBI:17293; SMR000528446; BRN 0014215; Questinomycine A; 3H-Phenoxazin-3-one,2-amino-; AV toxin C; 2-Aminophenoxazinone; Phx-3 cpd; Phx-3; 2-amino-3-phenoxazinone; 2-azanylphenoxazin-3-one; Acrospermum viticola toxin C; NCIOpen2_006212; 4-27-00-05519 (Beilstein Handbook Reference); cid_72725; CHEMBL146710; SCHEMBL2609261; BDBM76155; DTXSID60172691; HMS2270F19; NSC94945; ZINC4095812; MFCD00207317; NSC-94945; 2-acetylamino-(3h)-phenoxazin-3-one; AKOS027339724; NCGC00246903-01; AS-47041; C02161; J-012388; BRD-K66640612-001-05-8; Q15424786
Indication
Disease Entry ICD 11 Status REF
T-cell leukaemia 2A90 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 212.2
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H8N2O2
IUPAC Name
2-aminophenoxazin-3-one
Canonical SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N
InChI
InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2
InChIKey
RDJXPXHQENRCNG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
72725
ChEBI ID
CHEMBL146710
CAS Number
1916-59-2
TTD ID
DAQ31P
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Apoptosis mediating surface antigen FAS (FAS) TTF0RCZ TNR6_HUMAN Activator [2]
Caspase (CASP) TTZY5KP NOUNIPROTAC Activator [2]
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Molecular Expression Atlas of This Drug

The Studied Disease T-cell leukaemia
ICD Disease Classification 2A90
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Apoptosis mediating surface antigen FAS (FAS) DTT FAS 1.08E-03 -0.69 -2.65
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Anticancer effects of phenoxazine derivatives revealed by inhibition of cell growth and viability, disregulation of cell cycle, and apoptosis induction in HTLV-1-positive leukemia cells. J Pharmacol Sci. 2009 May;110(1):87-97.
2 Apoptosis as a mechanism for the treatment of adult T cell leukemia: promising drugs from benchside to bedside. Drug Discov Today. 2020 Jul;25(7):1189-1197.