Versimide

Details

• Internal ID: fc2c4993-f173-47a4-b19e-4a52b18a71df
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: methyl 2-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]prop-2-enoate
• InChI: InChI=1S/C9H11NO4/c1-5-4-7(11)10(8(5)12)6(2)9(13)14-3/h5H,2,4H2,1,3H3/t5-/m1/s1
• InChI Key: KHFBUINXBGUEQW-RXMQYKEDSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₁NO₄
• Molecular Weight: 197.19 g/mol
• Exact Mass: 197.06880783 g/mol
• Topological Polar Surface Area (TPSA): 63.70 Ų
• XlogP: 0.30

Synonyms

• NZ9YW5YMT7
• 30270-17-8
• NSC 177377
• NSC-177377
• UNII-NZ9YW5YMT7
• 1-PYRROLIDINEACETIC ACID, 3-METHYL-.ALPHA.-METHYLENE-2,5-DIOXO-, METHYL ESTER, (R)-

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
CHEMBL4040	P28482	MAP kinase ERK2	98.64%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.39%	96.09%
CHEMBL2581	P07339	Cathepsin D	90.64%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.86%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.28%	85.14%
CHEMBL340	P08684	Cytochrome P450 3A4	86.13%	91.19%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.56%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.08%	95.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 73439
• LOTUS: LTS0062424
• wikiData: Q105141115