N-[3-[3-[4-(3-aminopropylamino)butyl-hydroxyamino]propyl-hydroxyamino]propyl]-2-(4-hydroxy-1H-indol-2-yl)acetamide
| Internal ID | e281f9b2-247f-41a0-8ee4-92c0210a4ed2 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Hydroxyindoles |
| IUPAC Name | N-[3-[3-[4-(3-aminopropylamino)butyl-hydroxyamino]propyl-hydroxyamino]propyl]-2-(4-hydroxy-1H-indol-2-yl)acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H40N6O4/c24-9-4-11-25-10-1-2-13-28(32)15-6-16-29(33)14-5-12-26-23(31)18-19-17-20-21(27-19)7-3-8-22(20)30/h3,7-8,17,25,27,30,32-33H,1-2,4-6,9-16,18,24H2,(H,26,31) |
| InChI Key | IAPAGQSYAHFLDX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H40N6O4 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.31110378 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of N-[3-[3-[4-(3-aminopropylamino)butyl-hydroxyamino]propyl-hydroxyamino]propyl]-2-(4-hydroxy-1H-indol-2-yl)acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/0e562440-8539-11ee-98dc-ff1c6b0c3515.jpg "2D Structure of N-[3-[3-[4-(3-aminopropylamino)butyl-hydroxyamino]propyl-hydroxyamino]propyl]-2-(4-hydroxy-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 | 99.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.58% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.17% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.32% | 96.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 93.86% | 97.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.41% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 92.52% | 90.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.43% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.87% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.21% | 90.20% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 88.76% | 85.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.95% | 94.73% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.93% | 93.18% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 86.08% | 82.86% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.00% | 91.71% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.18% | 89.67% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.85% | 98.59% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.34% | 96.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.37% | 95.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.12% | 88.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.59% | 91.79% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162941841 |
| LOTUS | LTS0097286 |
| wikiData | Q104667550 |