4,4-dichloro-N-[5,5-dichloro-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-3-methylbutanamide
| Internal ID | bd4a1bf5-54f2-4129-9249-c7db668aceee |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | 4,4-dichloro-N-[5,5-dichloro-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-3-methylbutanamide |
| SMILES (Canonical) | CC(CC(=O)NC(CCC(Cl)Cl)C(=O)N1CCCC1C2=NC=CS2)C(Cl)Cl |
| SMILES (Isomeric) | CC(CC(=O)NC(CCC(Cl)Cl)C(=O)N1CCCC1C2=NC=CS2)C(Cl)Cl |
| InChI | InChI=1S/C17H23Cl4N3O2S/c1-10(15(20)21)9-14(25)23-11(4-5-13(18)19)17(26)24-7-2-3-12(24)16-22-6-8-27-16/h6,8,10-13,15H,2-5,7,9H2,1H3,(H,23,25) |
| InChI Key | RPRWFPARDQEVRJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H23Cl4N3O2S |
| Molecular Weight | 475.30 g/mol |
| Exact Mass | 475.023559 g/mol |
| Topological Polar Surface Area (TPSA) | 90.50 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 4,4-dichloro-N-[5,5-dichloro-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-3-methylbutanamide](https://plantaedb.com/storage/docs/compounds/2023/11/7a9c0840-8585-11ee-b086-5df4efd797e5.jpg "2D Structure of 4,4-dichloro-N-[5,5-dichloro-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-3-methylbutanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.68% | 98.95% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.44% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.23% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.93% | 94.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.29% | 96.90% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.63% | 98.05% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.93% | 99.18% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 85.44% | 98.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.81% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.66% | 89.34% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.36% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.40% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.98% | 100.00% |
| CHEMBL3691 | Q13822 | Autotaxin | 81.98% | 96.39% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.98% | 98.75% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.54% | 93.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.89% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.11% | 98.75% |
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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| There are no matching plants. |
| PubChem | 101131156 |
| LOTUS | LTS0078015 |
| wikiData | Q105242993 |