[Dha7]MC-HphR

Details

• Internal ID: c1250b31-b6c4-48ab-8ae9-45f1835d6076
• Taxonomy: Organic acids and derivatives > Peptidomimetics > Hybrid peptides
• IUPAC Name: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-8-(2-phenylethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
• InChI: InChI=1S/C52H72N10O12/c1-29(27-30(2)41(74-7)28-36-17-12-9-13-18-36)20-22-37-31(3)44(64)61-40(50(70)71)24-25-42(63)56-33(5)46(66)57-34(6)47(67)60-39(23-21-35-15-10-8-11-16-35)49(69)62-43(51(72)73)32(4)45(65)59-38(48(68)58-37)19-14-26-55-52(53)54/h8-13,15-18,20,22,27,30-32,34,37-41,43H,5,14,19,21,23-26,28H2,1-4,6-7H3,(H,56,63)(H,57,66)(H,58,68)(H,59,65)(H,60,67)(H,61,64)(H,62,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-20+,29-27+/t30-,31-,32-,34+,37-,38-,39-,40+,41-,43+/m0/s1
• InChI Key: DCAGLOYSRZSAJK-ZIHFDJJESA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₂H₇₂N₁₀O₁₂
• Molecular Weight: 1029.20 g/mol
• Exact Mass: 1028.53311777 g/mol
• Topological Polar Surface Area (TPSA): 352.00 Ų
• XlogP: 2.70

Synonyms

• DTXSID601046952

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	99.42%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.40%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	98.88%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.57%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	98.42%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.81%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.72%	86.33%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	92.90%	91.71%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.36%	97.09%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	92.00%	97.64%
CHEMBL5608	Q16288	NT-3 growth factor receptor	91.94%	95.89%
CHEMBL3837	P07711	Cathepsin L	91.37%	96.61%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.22%	99.17%
CHEMBL233	P35372	Mu opioid receptor	90.63%	97.93%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.78%	95.50%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.67%	90.71%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	86.95%	96.47%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	86.69%	100.00%
CHEMBL1255126	O15151	Protein Mdm4	86.61%	90.20%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.47%	95.89%
CHEMBL2179	P04062	Beta-glucocerebrosidase	84.47%	85.31%
CHEMBL4072	P07858	Cathepsin B	84.30%	93.67%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.46%	97.25%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.88%	93.00%
CHEMBL2535	P11166	Glucose transporter	82.77%	98.75%
CHEMBL1937	Q92769	Histone deacetylase 2	81.92%	94.75%
CHEMBL2093869	P05106	Integrin alpha-IIb/beta-3	81.89%	95.42%
CHEMBL2959	Q08881	Tyrosine-protein kinase ITK/TSK	81.52%	95.00%
CHEMBL340	P08684	Cytochrome P450 3A4	81.48%	91.19%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.45%	93.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146683849
• LOTUS: LTS0084698
• wikiData: Q105103627