(D-Asp3,Dha7)MC-HtyR

Details

• Internal ID: a4707a35-d0f8-4d54-9b31-1a6fc294c9f7
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Hybrid peptides
• IUPAC Name: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
• InChI: InChI=1S/C51H70N10O13/c1-28(25-29(2)41(74-6)26-34-11-8-7-9-12-34)14-20-36-30(3)44(65)60-39(49(70)71)22-23-42(63)55-31(4)45(66)56-32(5)46(67)59-38(21-17-33-15-18-35(62)19-16-33)48(69)61-40(50(72)73)27-43(64)57-37(47(68)58-36)13-10-24-54-51(52)53/h7-9,11-12,14-16,18-20,25,29-30,32,36-41,62H,4,10,13,17,21-24,26-27H2,1-3,5-6H3,(H,55,63)(H,56,66)(H,57,64)(H,58,68)(H,59,67)(H,60,65)(H,61,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-14+,28-25+/t29-,30-,32+,36-,37-,38-,39+,40+,41-/m0/s1
• InChI Key: HNBGKQBQBJXYNW-MRZPJGPASA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₁H₇₀N₁₀O₁₃
• Molecular Weight: 1031.20 g/mol
• Exact Mass: 1030.51238233 g/mol
• Topological Polar Surface Area (TPSA): 372.00 Ų
• XlogP: 1.80

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	99.76%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.33%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.03%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	98.46%	94.45%
CHEMBL233	P35372	Mu opioid receptor	97.01%	97.93%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	96.65%	91.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.71%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.84%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	94.76%	95.89%
CHEMBL4040	P28482	MAP kinase ERK2	94.50%	83.82%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.87%	99.17%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.79%	97.09%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	92.27%	95.50%
CHEMBL3837	P07711	Cathepsin L	91.79%	96.61%
CHEMBL1255126	O15151	Protein Mdm4	91.46%	90.20%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	91.19%	97.64%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	89.93%	90.71%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	89.34%	95.89%
CHEMBL2535	P11166	Glucose transporter	89.11%	98.75%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	88.90%	100.00%
CHEMBL2179	P04062	Beta-glucocerebrosidase	88.43%	85.31%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	88.43%	82.69%
CHEMBL5103	Q969S8	Histone deacetylase 10	88.35%	90.08%
CHEMBL236	P41143	Delta opioid receptor	86.29%	99.35%
CHEMBL1937	Q92769	Histone deacetylase 2	85.52%	94.75%
CHEMBL1902	P62942	FK506-binding protein 1A	85.42%	97.05%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	83.83%	94.62%
CHEMBL2093869	P05106	Integrin alpha-IIb/beta-3	82.99%	95.42%
CHEMBL340	P08684	Cytochrome P450 3A4	82.36%	91.19%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.33%	93.00%
CHEMBL2959	Q08881	Tyrosine-protein kinase ITK/TSK	82.19%	95.00%
CHEMBL301	P24941	Cyclin-dependent kinase 2	81.03%	91.23%
CHEMBL2514	O95665	Neurotensin receptor 2	80.54%	100.00%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	80.33%	96.47%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146683850
• LOTUS: LTS0183079
• wikiData: Q105109830