6-bromo-8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid

Details

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Internal ID ab109b24-5d1b-4311-a23a-f7be8065debf
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinoline carboxylic acids
IUPAC Name 6-bromo-8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H8BrNO4/c1-17-9-3-5(12)2-6-8(14)4-7(11(15)16)13-10(6)9/h2-4H,1H3,(H,13,14)(H,15,16)
InChI Key YPWADPOJPOTNKI-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C11H8BrNO4
Molecular Weight 298.09 g/mol
Exact Mass 296.96367 g/mol
Topological Polar Surface Area (TPSA) 75.60 Ų
XlogP 2.00

Synonyms

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CHEMBL1223674

2D Structure

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2D Structure of 6-bromo-8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.95% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.78% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.84% 91.11%
CHEMBL2581 P07339 Cathepsin D 91.43% 98.95%
CHEMBL2535 P11166 Glucose transporter 90.74% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.12% 94.45%
CHEMBL1255126 O15151 Protein Mdm4 90.10% 90.20%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.42% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.72% 99.17%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.68% 99.23%
CHEMBL213 P08588 Beta-1 adrenergic receptor 85.72% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.79% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.80% 94.00%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 81.80% 93.00%
CHEMBL4208 P20618 Proteasome component C5 80.54% 90.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 46938558
LOTUS LTS0121274
wikiData Q105351887