N-[3-[3-[3-(4-aminobutylamino)propylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-2-yl)acetamide
| Internal ID | ad56dbcc-6880-4879-8f64-1b62c60f4492 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | N-[3-[3-[3-(4-aminobutylamino)propylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-2-yl)acetamide |
| SMILES (Canonical) | C1=CC=C2C(=C1)C=C(N2)CC(=O)NCCCN(CCCNCCCNCCCCN)O |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C=C(N2)CC(=O)NCCCN(CCCNCCCNCCCCN)O |
| InChI | InChI=1S/C23H40N6O2/c24-10-3-4-11-25-12-5-13-26-14-6-16-29(31)17-7-15-27-23(30)19-21-18-20-8-1-2-9-22(20)28-21/h1-2,8-9,18,25-26,28,31H,3-7,10-17,19,24H2,(H,27,30) |
| InChI Key | MFKGCXPMMXYWML-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H40N6O2 |
| Molecular Weight | 432.60 g/mol |
| Exact Mass | 432.32127454 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of N-[3-[3-[3-(4-aminobutylamino)propylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-2-yl)acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-3-3-3-4-aminobutylaminopropylaminopropyl-hydroxyaminopropyl-2-1h-indol-2-ylacetamide.jpg "2D Structure of N-[3-[3-[3-(4-aminobutylamino)propylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-2-yl)acetamide")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.78% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.47% | 96.09% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 94.11% | 85.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.55% | 99.17% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 91.04% | 89.67% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.53% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.17% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.58% | 91.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.45% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.60% | 98.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.79% | 82.69% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.55% | 87.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.84% | 94.73% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.10% | 93.18% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 85.03% | 82.86% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 82.86% | 93.81% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.70% | 90.17% |
| CHEMBL1936 | P10721 | Stem cell growth factor receptor | 82.61% | 84.17% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.10% | 97.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162846802 |
| LOTUS | LTS0124330 |
| wikiData | Q104667809 |