Molleurea A
| Internal ID | 8740893b-0f89-4479-aa03-74a7dcbd9582 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides |
| IUPAC Name | N-(2-phenylethyl)-2-[2-(2-phenylethylcarbamoylamino)ethyl]benzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H29N3O2/c30-25(27-18-15-21-9-3-1-4-10-21)24-14-8-7-13-23(24)17-20-29-26(31)28-19-16-22-11-5-2-6-12-22/h1-14H,15-20H2,(H,27,30)(H2,28,29,31) |
| InChI Key | SNAKABCKSJEIFP-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H29N3O2 |
| Molecular Weight | 415.50 g/mol |
| Exact Mass | 415.22597718 g/mol |
| Topological Polar Surface Area (TPSA) | 70.20 Ų |
| XlogP | 4.50 |
| CHEMBL2087234 |
| N-phenethyl-2-[2-(phenethylcarbamoylamino)ethyl]benzamide |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.68% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.39% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.92% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.58% | 91.11% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 89.45% | 96.67% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 89.44% | 87.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.00% | 94.73% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 86.97% | 89.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.21% | 95.50% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 84.01% | 93.81% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.51% | 81.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.50% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.29% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.70% | 95.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.60% | 90.00% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 81.58% | 85.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.25% | 95.56% |
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 81.12% | 92.50% |
| CHEMBL5028 | O14672 | ADAM10 | 80.27% | 97.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.00% | 90.20% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 66553500 |
| LOTUS | LTS0043412 |
| wikiData | Q105256273 |