3-(Cyclohexylmethyl)-1-hydroxy-6-[(10-methyl-4-oxo-2-phenyl-1,2,3,10a-tetrahydropyrimido[1,2-a]indol-10-yl)methyl]piperazine-2,5-dione
| Internal ID | ce6d9dd1-f549-4731-b50e-e66e69370382 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Beta amino acids and derivatives |
| IUPAC Name | 3-(cyclohexylmethyl)-1-hydroxy-6-[(10-methyl-4-oxo-2-phenyl-1,2,3,10a-tetrahydropyrimido[1,2-a]indol-10-yl)methyl]piperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H36N4O4/c1-30(18-25-27(36)31-23(28(37)34(25)38)16-19-10-4-2-5-11-19)21-14-8-9-15-24(21)33-26(35)17-22(32-29(30)33)20-12-6-3-7-13-20/h3,6-9,12-15,19,22-23,25,29,32,38H,2,4-5,10-11,16-18H2,1H3,(H,31,36) |
| InChI Key | SYRKXVJXAYRATF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36N4O4 |
| Molecular Weight | 516.60 g/mol |
| Exact Mass | 516.27365564 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 3-(Cyclohexylmethyl)-1-hydroxy-6-[(10-methyl-4-oxo-2-phenyl-1,2,3,10a-tetrahydropyrimido[1,2-a]indol-10-yl)methyl]piperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8e4eaaa0-8569-11ee-8f0c-5f1b5110ec4e.jpg "2D Structure of 3-(Cyclohexylmethyl)-1-hydroxy-6-[(10-methyl-4-oxo-2-phenyl-1,2,3,10a-tetrahydropyrimido[1,2-a]indol-10-yl)methyl]piperazine-2,5-dione")
| 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 | 98.18% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.14% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.46% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.03% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.58% | 86.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.28% | 95.62% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.05% | 94.62% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 89.86% | 90.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.31% | 93.04% |
| CHEMBL238 | Q01959 | Dopamine transporter | 89.25% | 95.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.16% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.84% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.70% | 91.11% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.21% | 94.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.06% | 92.62% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.64% | 97.64% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.42% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.99% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.64% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.31% | 97.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.02% | 88.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162991772 |
| LOTUS | LTS0095054 |
| wikiData | Q105263740 |