Penipyridone E

Details

• Internal ID: c0d4153d-75e8-4f19-83a2-1545ef8242f1
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzyloxycarbonyls
• IUPAC Name: [(S)-[5-carbamoyl-1-(2-hydroxyethyl)-4-oxo-2-pyridinyl]-phenylmethyl] acetate
• InChI: InChI=1S/C17H18N2O5/c1-11(21)24-16(12-5-3-2-4-6-12)14-9-15(22)13(17(18)23)10-19(14)7-8-20/h2-6,9-10,16,20H,7-8H2,1H3,(H2,18,23)/t16-/m0/s1
• InChI Key: AKHVMRKKBSRGDN-INIZCTEOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₈N₂O₅
• Molecular Weight: 330.33 g/mol
• Exact Mass: 330.12157168 g/mol
• Topological Polar Surface Area (TPSA): 110.00 Ų
• XlogP: 0.60

Synonyms

• CHEMBL3922385

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	98.68%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.25%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.31%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.92%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.59%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.86%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.70%	94.45%
CHEMBL4040	P28482	MAP kinase ERK2	84.39%	83.82%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	84.30%	94.42%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.89%	93.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.46%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.39%	96.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 132525201
• LOTUS: LTS0217543
• wikiData: Q104913649