3-(8-hydroxy-4-oxo-1H-quinazolin-2-yl)propanoic acid

Details

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Internal ID d68b4f9d-07e8-4d91-b29f-3de4a262767f
Taxonomy Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines
IUPAC Name 3-(8-hydroxy-4-oxo-1H-quinazolin-2-yl)propanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H10N2O4/c14-7-3-1-2-6-10(7)12-8(13-11(6)17)4-5-9(15)16/h1-3,14H,4-5H2,(H,15,16)(H,12,13,17)
InChI Key FEZOCIHDAJWHKN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C11H10N2O4
Molecular Weight 234.21 g/mol
Exact Mass 234.06405680 g/mol
Topological Polar Surface Area (TPSA) 99.00 Ų
XlogP -0.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3-(8-hydroxy-4-oxo-1H-quinazolin-2-yl)propanoic 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
CHEMBL2581 P07339 Cathepsin D 96.51% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 96.19% 94.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 95.23% 99.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.37% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.07% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.04% 95.56%
CHEMBL1781 P11387 DNA topoisomerase I 91.15% 97.00%
CHEMBL5103 Q969S8 Histone deacetylase 10 88.83% 90.08%
CHEMBL1255126 O15151 Protein Mdm4 87.83% 90.20%
CHEMBL2535 P11166 Glucose transporter 87.04% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.64% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.15% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.69% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 83.71% 89.63%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.38% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 83.25% 91.71%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.21% 93.99%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 81.89% 94.62%
CHEMBL213 P08588 Beta-1 adrenergic receptor 81.21% 95.56%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 80.00% 95.00%

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 71504122
LOTUS LTS0079410
wikiData Q77567411