Strepphenazine A

Details

• Internal ID: 3abfaa7b-9274-411d-876c-5296a7e4094b
• Taxonomy: Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines > Phenazines and derivatives
• IUPAC Name: 7-hydroxy-6-methoxyphenazine-1-carboxylic acid
• InChI: InChI=1S/C14H10N2O4/c1-20-13-10(17)6-5-9-12(13)16-8-4-2-3-7(14(18)19)11(8)15-9/h2-6,17H,1H3,(H,18,19)
• InChI Key: MGVITQUDLMPKFF-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₀N₂O₄
• Molecular Weight: 270.24 g/mol
• Exact Mass: 270.06405680 g/mol
• Topological Polar Surface Area (TPSA): 92.50 Ų
• XlogP: 1.80
• Atomic LogP (AlogP): 2.20
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Rotatable Bonds: 2

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.9623	96.23%
Caco-2	+	0.5000	50.00%
Blood Brain Barrier	-	0.6250	62.50%
Human oral bioavailability	+	0.7143	71.43%
Subcellular localzation	Mitochondria	0.7763	77.63%
OATP2B1 inhibitior	-	0.7211	72.11%
OATP1B1 inhibitior	+	0.9665	96.65%
OATP1B3 inhibitior	+	0.9542	95.42%
MATE1 inhibitior	-	0.9600	96.00%
OCT2 inhibitior	-	0.9500	95.00%
BSEP inhibitior	+	0.6117	61.17%
P-glycoprotein inhibitior	-	0.9304	93.04%
P-glycoprotein substrate	-	0.9494	94.94%
CYP3A4 substrate	-	0.6405	64.05%
CYP2C9 substrate	-	0.8086	80.86%
CYP2D6 substrate	-	0.8938	89.38%
CYP3A4 inhibition	-	0.9267	92.67%
CYP2C9 inhibition	-	0.8590	85.90%
CYP2C19 inhibition	-	0.7462	74.62%
CYP2D6 inhibition	-	0.8811	88.11%
CYP1A2 inhibition	+	0.6600	66.00%
CYP2C8 inhibition	-	0.5696	56.96%
CYP inhibitory promiscuity	-	0.5992	59.92%
UGT catelyzed	+	0.7000	70.00%
Carcinogenicity (binary)	-	0.9800	98.00%
Carcinogenicity (trinary)	Non-required	0.6301	63.01%
Eye corrosion	-	0.9924	99.24%
Eye irritation	+	0.7270	72.70%
Skin irritation	-	0.7990	79.90%
Skin corrosion	-	0.9693	96.93%
Ames mutagenesis	-	0.6000	60.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.7164	71.64%
Micronuclear	+	0.8300	83.00%
Hepatotoxicity	+	0.7000	70.00%
skin sensitisation	-	0.9341	93.41%
Respiratory toxicity	-	0.6222	62.22%
Reproductive toxicity	+	0.6000	60.00%
Mitochondrial toxicity	-	0.5125	51.25%
Nephrotoxicity	+	0.5906	59.06%
Acute Oral Toxicity (c)	III	0.6526	65.26%
Estrogen receptor binding	+	0.5874	58.74%
Androgen receptor binding	+	0.6399	63.99%
Thyroid receptor binding	+	0.5882	58.82%
Glucocorticoid receptor binding	+	0.8812	88.12%
Aromatase binding	+	0.7105	71.05%
PPAR gamma	+	0.7710	77.10%
Honey bee toxicity	-	0.9659	96.59%
Biodegradation	-	0.8750	87.50%
Crustacea aquatic toxicity	-	0.8900	89.00%
Fish aquatic toxicity	-	0.5588	55.88%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3038477	P67870	Casein kinase II alpha/beta	94.74%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.84%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.94%	86.33%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	91.50%	99.15%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.23%	96.09%
CHEMBL2581	P07339	Cathepsin D	90.41%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.25%	96.00%
CHEMBL2535	P11166	Glucose transporter	86.66%	98.75%
CHEMBL3359	P21462	Formyl peptide receptor 1	85.93%	93.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.62%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.25%	91.11%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.66%	95.50%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.93%	94.00%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	83.82%	94.42%
CHEMBL3401	O75469	Pregnane X receptor	83.69%	94.73%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	81.61%	81.11%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146682778
• LOTUS: LTS0174932
• wikiData: Q105163599