1-Methoxyphenazine

Details

• Internal ID: 9866d502-dc4d-43f4-bd82-f3f1f597ed29
• Taxonomy: Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives
• IUPAC Name: 1-methoxyphenazine
• SMILES (Canonical): COC1=CC=CC2=NC3=CC=CC=C3N=C21
• SMILES (Isomeric): COC1=CC=CC2=NC3=CC=CC=C3N=C21
• InChI: InChI=1S/C13H10N2O/c1-16-12-8-4-7-11-13(12)15-10-6-3-2-5-9(10)14-11/h2-8H,1H3
• InChI Key: ZYDGCYWJDWIJCS-UHFFFAOYSA-N
• Popularity: 143 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₀N₂O
• Molecular Weight: 210.23 g/mol
• Exact Mass: 210.079312947 g/mol
• Topological Polar Surface Area (TPSA): 35.00 Ų
• XlogP: 2.60

Synonyms

• 2876-17-7
• Phenazine, 1-methoxy-
• 1-Methoxyphenazine methosulfate
• YB0SBX4FRJ
• CHEMBL1802197
• NSC 402756
• NSC-402756
• a-Methoxyphenazine
• 1-methoxy-phenazine
• 1-Methoxy phenazine
• UNII-YB0SBX4FRJ
• O(C)c1cccc2nc3ccccc3nc12
• LCZC2234
• SCHEMBL1513023
• ZYDGCYWJDWIJCS-UHFFFAOYSA-
• DTXSID90182940
• CAA87617
• BDBM50347485
• MFCD01794656
• NSC402756
• AKOS003625395
• AS-57537
• NCI60_003783
• CS-0081106
• FT-0658529
• M1828
• T72231
• A819581
• InChI=1/C13H10N2O/c1-16-12-8-4-7-11-13(12)15-10-6-3-2-5-9(10)14-11/h2-8H,1H3

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	31100 nM	IC50	PMID: 21105712

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.49%	86.33%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	90.75%	94.03%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.10%	96.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.00%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.96%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.43%	94.00%
CHEMBL1255126	O15151	Protein Mdm4	86.35%	90.20%
CHEMBL2535	P11166	Glucose transporter	85.43%	98.75%
CHEMBL2581	P07339	Cathepsin D	84.52%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.42%	99.23%
CHEMBL1907	P15144	Aminopeptidase N	82.06%	93.31%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.24%	95.50%

Plants that contains it

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

Cross-Links

• PubChem: 76137
• NPASS: NPC1527
• ChEMBL: CHEMBL1802197