2,3-Dimethoxyphenazine

Details

• Internal ID: 73402a5a-db9e-4a8e-970f-0ed23c1ef859
• Taxonomy: Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives
• IUPAC Name: 2,3-dimethoxyphenazine
• SMILES (Canonical): COC1=CC2=NC3=CC=CC=C3N=C2C=C1OC
• SMILES (Isomeric): COC1=CC2=NC3=CC=CC=C3N=C2C=C1OC
• InChI: InChI=1S/C14H12N2O2/c1-17-13-7-11-12(8-14(13)18-2)16-10-6-4-3-5-9(10)15-11/h3-8H,1-2H3
• InChI Key: YQIADNJBCIVZAI-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₂N₂O₂
• Molecular Weight: 240.26 g/mol
• Exact Mass: 240.089877630 g/mol
• Topological Polar Surface Area (TPSA): 44.20 Ų
• XlogP: 2.60

Synonyms

• 2,3-Dimethoxyphenazine
• BDBM50347475

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL3959	P16083	Quinone reductase 2	18200 nM	IC50	PMID: 21105712

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.93%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.45%	96.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.83%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.16%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.94%	96.00%
CHEMBL2535	P11166	Glucose transporter	86.48%	98.75%
CHEMBL2581	P07339	Cathepsin D	82.95%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.89%	91.11%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	82.81%	94.03%

Plants that contains it

• Aglaia tomentosa
• Backhousia citriodora
• Capraria biflora
• Centipeda minima
• Mentha suaveolens subsp. timija
• Senecio macrocephalus
• Upuna borneensis

Cross-Links

• PubChem: 21679909
• NPASS: NPC258773
• ChEMBL: CHEMBL1802263