4-[10-[3-[[acetamido(amino)methylidene]amino]propyl]-18-hydroxy-16-(1H-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentazatricyclo[15.2.1.04,8]icosan-13-yl]butanoic acid

Details

• Internal ID: bfede6f5-4037-4c02-9481-5a519499dd7f
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
• IUPAC Name: 4-[10-[3-[[acetamido(amino)methylidene]amino]propyl]-18-hydroxy-16-(1H-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentazatricyclo[15.2.1.04,8]icosan-13-yl]butanoic acid
• InChI: InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)
• InChI Key: FOZYKTUSOWWQGR-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₄₂N₁₀O₉
• Molecular Weight: 674.70 g/mol
• Exact Mass: 674.31362296 g/mol
• Topological Polar Surface Area (TPSA): 282.00 Ų
• XlogP: -2.40

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.65%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	99.03%	85.14%
CHEMBL2581	P07339	Cathepsin D	98.28%	98.95%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	96.85%	97.64%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	96.68%	93.03%
CHEMBL4040	P28482	MAP kinase ERK2	96.17%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.77%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.83%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	94.47%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.87%	97.09%
CHEMBL255	P29275	Adenosine A2b receptor	91.05%	98.59%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	89.45%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.43%	99.23%
CHEMBL217	P14416	Dopamine D2 receptor	88.87%	95.62%
CHEMBL1902	P62942	FK506-binding protein 1A	87.75%	97.05%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	87.63%	96.90%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	86.78%	92.88%
CHEMBL2443	P49862	Kallikrein 7	85.83%	94.00%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	85.61%	82.38%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.03%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.93%	95.56%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	84.72%	95.50%
CHEMBL213	P08588	Beta-1 adrenergic receptor	84.69%	95.56%
CHEMBL3437	Q16853	Amine oxidase, copper containing	84.45%	94.00%
CHEMBL4330	Q9NS75	Cysteinyl leukotriene receptor 2	83.87%	98.00%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	83.46%	91.03%
CHEMBL3038469	P24941	CDK2/Cyclin A	82.83%	91.38%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.49%	93.00%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	82.29%	91.24%
CHEMBL4660	P28907	Lymphocyte differentiation antigen CD38	81.17%	95.27%
CHEMBL5028	O14672	ADAM10	81.12%	97.50%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	80.46%	88.42%
CHEMBL2243	O00519	Anandamide amidohydrolase	80.42%	97.53%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.40%	86.33%
CHEMBL5103	Q969S8	Histone deacetylase 10	80.13%	90.08%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9874649
• LOTUS: LTS0234341
• wikiData: Q104166640