2-[(1S)-1-hydroxyethyl]-1H-quinazolin-4-one

Details

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Internal ID abf3c240-a6b3-47b4-aa79-7296bfc557b8
Taxonomy Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines
IUPAC Name 2-[(1S)-1-hydroxyethyl]-1H-quinazolin-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H10N2O2/c1-6(13)9-11-8-5-3-2-4-7(8)10(14)12-9/h2-6,13H,1H3,(H,11,12,14)/t6-/m0/s1
InChI Key BMBSGGZMJQTQSO-LURJTMIESA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H10N2O2
Molecular Weight 190.20 g/mol
Exact Mass 190.074227566 g/mol
Topological Polar Surface Area (TPSA) 61.70 Ų
XlogP 0.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[(1S)-1-hydroxyethyl]-1H-quinazolin-4-one

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.82% 85.14%
CHEMBL2581 P07339 Cathepsin D 95.96% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.22% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.04% 99.23%
CHEMBL1937 Q92769 Histone deacetylase 2 91.35% 94.75%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.15% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.18% 96.09%
CHEMBL2535 P11166 Glucose transporter 86.70% 98.75%
CHEMBL5103 Q969S8 Histone deacetylase 10 85.71% 90.08%
CHEMBL3310 Q96DB2 Histone deacetylase 11 84.61% 88.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.54% 94.45%
CHEMBL3524 P56524 Histone deacetylase 4 83.02% 92.97%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.72% 96.67%
CHEMBL3401 O75469 Pregnane X receptor 81.26% 94.73%
CHEMBL213 P08588 Beta-1 adrenergic receptor 81.21% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.34% 94.00%

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 11116825
LOTUS LTS0132220
wikiData Q77490422