Terezine M

Details

• Internal ID: 28b06a88-992d-4569-b219-c7285af3351b
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: (3R,6S)-6-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3,5,6-trimethoxy-3-propan-2-yl-1H-pyrazin-2-one
• SMILES (Canonical): CC(C)C1(C(=O)NC(C(=N1)OC)(C(C2=CC=C(C=C2)O)O)OC)OC
• SMILES (Isomeric): CC(C)[C@]1(C(=O)N[C@@](C(=N1)OC)([C@@H](C2=CC=C(C=C2)O)O)OC)OC
• InChI: InChI=1S/C17H24N2O6/c1-10(2)16(24-4)14(22)18-17(25-5,15(19-16)23-3)13(21)11-6-8-12(20)9-7-11/h6-10,13,20-21H,1-5H3,(H,18,22)/t13-,16-,17+/m1/s1
• InChI Key: DQRHVFZNTZMXLH-XYPHTWIQSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₄N₂O₆
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.16343649 g/mol
• Topological Polar Surface Area (TPSA): 110.00 Ų
• XlogP: 0.80

Synonyms

There are no found synonyms.

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.63%	85.14%
CHEMBL4040	P28482	MAP kinase ERK2	98.28%	83.82%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.13%	94.45%
CHEMBL2581	P07339	Cathepsin D	94.75%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	94.75%	94.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.62%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.44%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.09%	95.56%
CHEMBL301	P24941	Cyclin-dependent kinase 2	90.89%	91.23%
CHEMBL2535	P11166	Glucose transporter	90.70%	98.75%
CHEMBL4208	P20618	Proteasome component C5	89.29%	90.00%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	88.90%	94.08%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.94%	99.15%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.62%	93.99%
CHEMBL211	P08172	Muscarinic acetylcholine receptor M2	84.28%	94.97%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	83.92%	93.10%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.08%	90.71%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.54%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.95%	99.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 132608793
• LOTUS: LTS0077703
• wikiData: Q104987094