phe-FMDP

Details

• Internal ID: 013a39b9-032f-4440-bd87-6c10f2130be0
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
• IUPAC Name: (2S)-2-[[2-amino-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
• InChI: InChI=1S/C17H21N3O6/c1-26-15(22)8-7-14(21)19-10-12(18)16(23)20-13(17(24)25)9-11-5-3-2-4-6-11/h2-8,12-13H,9-10,18H2,1H3,(H,19,21)(H,20,23)(H,24,25)/b8-7+/t12?,13-/m0/s1
• InChI Key: ZDSAILYUAITBJS-SSJPEIIJSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₁N₃O₆
• Molecular Weight: 363.40 g/mol
• Exact Mass: 363.14303540 g/mol
• Topological Polar Surface Area (TPSA): 148.00 Ų
• XlogP: -2.60

Synonyms

• FMDP-Phe
• CHEBI:74492
• 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanyl-L-phenylalanine
• Q27144694
• (2S)-2-[(2-amino-3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}propanoyl)amino]-3-phenylpropanoic acid
• 2-{3-[3-(Methoxycarbonyl)prop-2-enoylamino]-2-aminopropanoylamino}(2S)-3-phenylpropanoic acid

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	99.29%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	98.21%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.54%	96.09%
CHEMBL1255126	O15151	Protein Mdm4	96.53%	90.20%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	94.84%	97.21%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	93.69%	96.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.10%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.14%	99.17%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	90.84%	92.29%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.61%	91.11%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	89.16%	95.50%
CHEMBL4040	P28482	MAP kinase ERK2	88.46%	83.82%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.56%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.54%	94.45%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	84.47%	98.33%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	83.99%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.59%	93.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.53%	96.00%
CHEMBL5028	O14672	ADAM10	80.95%	97.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 6475749
• LOTUS: LTS0132609
• wikiData: Q27144694