(3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide
| Internal ID | 192144c9-05fb-4306-908a-5139acf793bb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H49N3O/c1-6-7-8-9-10-11-12-16-22(2)21-23(27)24-17-15-20-26(5)19-14-13-18-25(3)4/h22H,6-21H2,1-5H3,(H,24,27)/t22-/m0/s1 |
| InChI Key | RLDPSVAZXJQOAE-QFIPXVFZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H49N3O |
| Molecular Weight | 383.70 g/mol |
| Exact Mass | 383.38756320 g/mol |
| Topological Polar Surface Area (TPSA) | 35.60 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/3s-n-3-4-dimethylaminobutyl-methylaminopropyl-3-methyldodecanamide.jpg "2D Structure of (3S)-N-[3-[4-(dimethylamino)butyl-methylamino]propyl]-3-methyldodecanamide")
| 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 | 98.97% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.80% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.44% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.41% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.72% | 92.86% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 93.79% | 87.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.94% | 89.63% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 90.23% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.57% | 98.03% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.19% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.83% | 90.71% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 88.76% | 96.67% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.60% | 85.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.10% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.55% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.53% | 94.73% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.15% | 89.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.13% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.67% | 98.59% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.47% | 90.17% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 84.45% | 96.25% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.32% | 90.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.14% | 94.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.76% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.53% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.47% | 91.19% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.34% | 96.90% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.31% | 89.34% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.25% | 93.10% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.59% | 97.79% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.52% | 86.67% |
| CHEMBL1795117 | Q8TEK3 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 82.41% | 93.56% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.00% | 97.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 97046606 |
| LOTUS | LTS0080899 |
| wikiData | Q105239845 |