2'-(1H-indol-3-ylmethyl)-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione
| Internal ID | 3a0ff045-9c03-48f4-86eb-397e3155c8af |
| Taxonomy | Organoheterocyclic compounds > Pyridopyrimidines |
| IUPAC Name | 2'-(1H-indol-3-ylmethyl)-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H26N6O3/c1-31-29-34-22-12-6-3-9-19(22)27(40)38(29)25(26(39)36-31)15-32(31)20-10-4-7-13-24(20)37-28(41)23(35-30(32)37)14-17-16-33-21-11-5-2-8-18(17)21/h2-13,16,23,25,30,33,35H,14-15H2,1H3,(H,36,39) |
| InChI Key | XGMSBFCARQKIOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H26N6O3 |
| Molecular Weight | 542.60 g/mol |
| Exact Mass | 542.20663871 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 2'-(1H-indol-3-ylmethyl)-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione](https://plantaedb.com/storage/docs/compounds/2023/11/ebb68700-8612-11ee-a89c-c75ba364fc79.jpg "2D Structure of 2'-(1H-indol-3-ylmethyl)-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione")
| 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 | 97.96% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.51% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.25% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.62% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.32% | 99.23% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.26% | 97.64% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 94.82% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.56% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.31% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.65% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.39% | 98.59% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 92.40% | 92.67% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 91.92% | 96.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.85% | 88.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 90.61% | 96.39% |
| CHEMBL228 | P31645 | Serotonin transporter | 90.28% | 95.51% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.78% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.46% | 86.33% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 86.76% | 99.52% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.45% | 95.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.44% | 94.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.44% | 90.71% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 85.71% | 88.42% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.70% | 92.62% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 85.17% | 95.00% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 84.54% | 87.50% |
| CHEMBL204 | P00734 | Thrombin | 82.38% | 96.01% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.18% | 91.43% |
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 | 163065812 |
| LOTUS | LTS0107892 |
| wikiData | Q104200963 |