CID 74951432
| Internal ID | bd7143a9-85b1-43a4-9280-40773497f988 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | N-[2-[[6-amino-1-oxo-1-[[3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]hexan-2-yl]amino]-2-oxoethyl]-3-hydroxy-12-methyltridecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H101N13O9/c1-37(2)21-7-5-3-4-6-8-22-38(66)35-45(67)59-36-46(68)60-40(24-10-16-30-54)48(70)62-44-28-14-20-34-58-47(69)39(23-9-15-29-53)61-49(71)41(25-11-17-31-55)63-50(72)42(26-12-18-32-56)64-51(73)43(65-52(44)74)27-13-19-33-57/h37-44,66H,3-36,53-57H2,1-2H3,(H,58,69)(H,59,67)(H,60,68)(H,61,71)(H,62,70)(H,63,72)(H,64,73)(H,65,74) |
| InChI Key | CKVWJOLXHYYAKC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C52H101N13O9 |
| Molecular Weight | 1052.40 g/mol |
| Exact Mass | 1051.78452185 g/mol |
| Topological Polar Surface Area (TPSA) | 383.00 Ų |
| XlogP | 1.30 |
| CHEBI:206049 |
| N-[2-[[6-amino-1-oxo-1-[[3,6,9,12-tetrakis(4-aminobutyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]amino]hexan-2-yl]amino]-2-oxoethyl]-3-hydroxy-12-methyltridecanamide |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.52% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.04% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.00% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.72% | 97.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 96.71% | 97.23% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 96.34% | 98.05% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 94.50% | 96.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.20% | 99.35% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.84% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.77% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.29% | 90.08% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 92.91% | 93.18% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 92.41% | 96.33% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 91.91% | 98.24% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 91.78% | 88.42% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 91.48% | 92.88% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.01% | 93.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.95% | 95.50% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 90.94% | 96.67% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.92% | 94.66% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.58% | 85.14% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.64% | 97.29% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 89.40% | 89.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.92% | 93.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.34% | 95.93% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 88.11% | 82.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.55% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.38% | 89.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.33% | 95.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.31% | 82.69% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 87.25% | 94.55% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 87.23% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.23% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.07% | 95.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.46% | 100.00% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 84.77% | 95.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.36% | 90.20% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.32% | 90.17% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.27% | 95.92% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.83% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.57% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.22% | 96.90% |
| CHEMBL2593 | P30419 | Peptide N-myristoyltransferase 1 | 82.18% | 93.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.08% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.95% | 97.14% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.87% | 95.56% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 81.57% | 94.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.44% | 91.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.35% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.23% | 93.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.16% | 98.10% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.66% | 80.71% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.21% | 95.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| PubChem | 74951432 |
| LOTUS | LTS0229832 |
| wikiData | Q77479256 |