Cicadapeptin II

Details

• Internal ID: bb99805c-cfbb-4695-ab7f-3d0f01f65ddf
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides
• IUPAC Name: (2S)-N-[1-[[(2S,3S)-1-[[(2S)-1-amino-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[[2-[[(2S)-2-[[(2S,4R)-1-[(2S,4R)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]pentanediamide
• InChI: InChI=1S/C50H90N10O11/c1-12-14-15-16-17-18-19-20-39(64)59-27-34(62)25-37(59)46(69)60-28-33(61)24-36(60)43(66)55-40(30(5)6)45(68)58-49(8,9)47(70)54-35(21-22-38(52)63)42(65)57-50(10,11)48(71)56-41(31(7)13-2)44(67)53-32(26-51)23-29(3)4/h29-37,40-41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,67)(H,54,70)(H,55,66)(H,56,71)(H,57,65)(H,58,68)/t31-,32-,33+,34+,35-,36-,37-,40-,41-/m0/s1
• InChI Key: XARWTRNVQZILGP-AACUSYOXSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₅₀H₉₀N₁₀O₁₁
• Molecular Weight: 1007.30 g/mol
• Exact Mass: 1006.67905373 g/mol
• Topological Polar Surface Area (TPSA): 325.00 Ų
• XlogP: 2.80

Synonyms

• (2S)-N-(1-(((2S,3S)-1-(((2S)-1-amino-4-methylpentan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-2-methyl-1-oxopropan-2-yl)-2-((2-(((2S)-2-(((2S,4R)-1-((2S,4R)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl)-4-hydroxypyrrolidine-2-carbonyl)amino)-3-methylbutanoyl)amino)-2-methylpropanoyl)amino)pentanediamide
• (2S)-N-[1-[[(2S,3S)-1-[[(2S)-1-amino-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-[[2-[[(2S)-2-[[(2S,4R)-1-[(2S,4R)-1-decanoyl-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]pentanediamide
• RefChem:126089
• 845626-81-5
• CHEMBL449446
• CHEBI:199103

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	99.60%	97.25%
CHEMBL3837	P07711	Cathepsin L	99.49%	96.61%
CHEMBL2581	P07339	Cathepsin D	99.26%	98.95%
CHEMBL299	P17252	Protein kinase C alpha	99.07%	98.03%
CHEMBL220	P22303	Acetylcholinesterase	99.04%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.97%	96.09%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	98.88%	92.86%
CHEMBL3359	P21462	Formyl peptide receptor 1	97.88%	93.56%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	97.78%	96.95%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	97.62%	82.69%
CHEMBL4018	P49146	Neuropeptide Y receptor type 2	97.42%	98.94%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	97.01%	97.21%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	96.97%	98.33%
CHEMBL4588	P22894	Matrix metalloproteinase 8	96.81%	94.66%
CHEMBL2514	O95665	Neurotensin receptor 2	96.53%	100.00%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	96.37%	96.47%
CHEMBL4005	P42336	PI3-kinase p110-alpha subunit	96.26%	97.47%
CHEMBL221	P23219	Cyclooxygenase-1	96.14%	90.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	96.10%	97.29%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	96.08%	95.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.06%	99.17%
CHEMBL2730	P21980	Protein-glutamine gamma-glutamyltransferase	95.88%	92.38%
CHEMBL4227	P25090	Lipoxin A4 receptor	95.72%	100.00%
CHEMBL2996	Q05655	Protein kinase C delta	95.27%	97.79%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	94.87%	97.23%
CHEMBL1944495	P28065	Proteasome subunit beta type-9	94.45%	97.50%
CHEMBL2815	P04629	Nerve growth factor receptor Trk-A	94.10%	87.16%
CHEMBL3776	Q14790	Caspase-8	93.60%	97.06%
CHEMBL283	P08254	Matrix metalloproteinase 3	93.30%	97.29%
CHEMBL4462	Q8IXJ6	NAD-dependent deacetylase sirtuin 2	93.07%	90.24%
CHEMBL4506	Q96EB6	NAD-dependent deacetylase sirtuin 1	92.97%	88.33%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	92.93%	95.17%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	92.78%	90.71%
CHEMBL4801	P29466	Caspase-1	92.49%	96.85%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	92.05%	100.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	92.03%	100.00%
CHEMBL3437	Q16853	Amine oxidase, copper containing	91.91%	94.00%
CHEMBL5979	P05186	Alkaline phosphatase, tissue-nonspecific isozyme	91.01%	85.40%
CHEMBL4662	P28074	Proteasome Macropain subunit MB1	90.89%	93.85%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.87%	97.09%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	90.11%	97.14%
CHEMBL3238	P23786	Carnitine palmitoyltransferase 2	90.03%	94.05%
CHEMBL340	P08684	Cytochrome P450 3A4	89.82%	91.19%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	89.67%	92.88%
CHEMBL332	P03956	Matrix metalloproteinase-1	89.39%	94.50%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	89.17%	91.81%
CHEMBL3430907	Q96GD4	Aurora kinase B/Inner centromere protein	88.92%	97.50%
CHEMBL4816	Q9Y243	Serine/threonine-protein kinase AKT3	88.68%	96.28%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	88.56%	96.90%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	88.42%	94.33%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	88.41%	93.00%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	88.34%	98.75%
CHEMBL1744525	P43490	Nicotinamide phosphoribosyltransferase	88.26%	96.25%
CHEMBL230	P35354	Cyclooxygenase-2	86.95%	89.63%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.43%	95.89%
CHEMBL268	P43235	Cathepsin K	86.13%	96.85%
CHEMBL4123	P30989	Neurotensin receptor 1	85.98%	96.67%
CHEMBL4581	P52732	Kinesin-like protein 1	85.86%	93.18%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	85.64%	97.64%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	85.17%	89.34%
CHEMBL4073	P09237	Matrix metalloproteinase 7	85.08%	97.56%
CHEMBL5028	O14672	ADAM10	85.07%	97.50%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	84.87%	94.01%
CHEMBL3018	Q9Y5Y6	Matriptase	84.19%	98.33%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	84.14%	88.42%
CHEMBL2007625	O75874	Isocitrate dehydrogenase [NADP] cytoplasmic	84.01%	99.00%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	83.42%	92.08%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	82.90%	96.03%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	82.79%	96.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.56%	96.00%
CHEMBL4015	P41597	C-C chemokine receptor type 2	82.32%	98.57%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.86%	91.11%
CHEMBL3024	P53350	Serine/threonine-protein kinase PLK1	81.83%	97.43%
CHEMBL4979	P13866	Sodium/glucose cotransporter 1	81.62%	98.24%
CHEMBL2413	P32246	C-C chemokine receptor type 1	81.60%	89.50%
CHEMBL2431	P31751	Serine/threonine-protein kinase AKT2	81.36%	98.33%
CHEMBL2208	P49137	MAP kinase-activated protein kinase 2	80.50%	95.20%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.35%	95.89%
CHEMBL1968	P07099	Epoxide hydrolase 1	80.31%	98.57%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11205390
• LOTUS: LTS0121556
• wikiData: Q75064363