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]
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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: CHEBI:17293
CAS Number: 1916-59-2
TTD ID: DAQ31P

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 Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

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.