(S*R*)-2-(1-Hydroxyethyl)-2-methyl-2,3-dihydro-1H-quinazolin-4-one

Details

• Internal ID: 5c4e3c3f-63df-4de5-b060-3f4974a09997
• Taxonomy: Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines
• IUPAC Name: (2S)-2-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dihydroquinazolin-4-one
• InChI: InChI=1S/C11H14N2O2/c1-7(14)11(2)12-9-6-4-3-5-8(9)10(15)13-11/h3-7,12,14H,1-2H3,(H,13,15)/t7-,11+/m1/s1
• InChI Key: YEMXDMCTTAKDIF-HQJQHLMTSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₄N₂O₂
• Molecular Weight: 206.24 g/mol
• Exact Mass: 206.105527694 g/mol
• Topological Polar Surface Area (TPSA): 61.40 Ų
• XlogP: 1.10

Synonyms

• (S*R*)-2-(1-Hydroxyethyl)-2-methyl-2,3-dihydro-1H-quinazolin-4-one

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	98.04%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.94%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.23%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	91.72%	94.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.31%	96.09%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	91.25%	82.69%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	89.92%	93.03%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.16%	85.14%
CHEMBL2535	P11166	Glucose transporter	85.37%	98.75%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.65%	97.25%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.14%	99.23%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	83.49%	94.08%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9990559
• LOTUS: LTS0129316
• wikiData: Q77568309