Terpeptin

Details

• Internal ID: 53a34be6-84ba-4a45-a9c4-7336d1e5e5cb
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
• IUPAC Name: (2S)-2-acetamido-N,3-dimethyl-N-[(2S)-3-methyl-1-[[(Z)-2-[2-(3-methylbut-2-enyl)-1H-indol-3-yl]ethenyl]amino]-1-oxobutan-2-yl]butanamide
• SMILES (Canonical): CC(C)C(C(=O)N(C)C(C(C)C)C(=O)NC=CC1=C(NC2=CC=CC=C21)CC=C(C)C)NC(=O)C
• SMILES (Isomeric): CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N/C=C\C1=C(NC2=CC=CC=C21)CC=C(C)C)NC(=O)C
• InChI: InChI=1S/C28H40N4O3/c1-17(2)13-14-24-22(21-11-9-10-12-23(21)31-24)15-16-29-27(34)26(19(5)6)32(8)28(35)25(18(3)4)30-20(7)33/h9-13,15-16,18-19,25-26,31H,14H2,1-8H3,(H,29,34)(H,30,33)/b16-15-/t25-,26-/m0/s1
• InChI Key: QKRDCXNLINQVQN-QXYKFECQSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₄₀N₄O₃
• Molecular Weight: 480.60 g/mol
• Exact Mass: 480.31004115 g/mol
• Topological Polar Surface Area (TPSA): 94.30 Ų
• XlogP: 5.20

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
CHEMBL2581	P07339	Cathepsin D	99.11%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.30%	85.14%
CHEMBL5103	Q969S8	Histone deacetylase 10	93.22%	90.08%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.19%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.15%	95.56%
CHEMBL255	P29275	Adenosine A2b receptor	92.60%	98.59%
CHEMBL3401	O75469	Pregnane X receptor	91.78%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.65%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.38%	96.09%
CHEMBL3310	Q96DB2	Histone deacetylase 11	91.31%	88.56%
CHEMBL221	P23219	Cyclooxygenase-1	90.91%	90.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.51%	96.00%
CHEMBL3837	P07711	Cathepsin L	87.85%	96.61%
CHEMBL5028	O14672	ADAM10	86.95%	97.50%
CHEMBL3430907	Q96GD4	Aurora kinase B/Inner centromere protein	85.56%	97.50%
CHEMBL1829	O15379	Histone deacetylase 3	84.80%	95.00%
CHEMBL2885	P07451	Carbonic anhydrase III	82.44%	87.45%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.55%	93.56%
CHEMBL3308	P55212	Caspase-6	81.32%	97.56%
CHEMBL3524	P56524	Histone deacetylase 4	81.31%	92.97%
CHEMBL4227	P25090	Lipoxin A4 receptor	80.67%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9913062
• LOTUS: LTS0103365
• wikiData: Q105223281