2'-benzyl-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 | 0d67ae73-4ce9-4203-9839-3a98e539d961 |
| Taxonomy | Organoheterocyclic compounds > Pyridopyrimidines |
| IUPAC Name | 2'-benzyl-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/C30H25N5O3/c1-29-27-31-20-13-7-5-11-18(20)25(37)35(27)23(24(36)33-29)16-30(29)19-12-6-8-14-22(19)34-26(38)21(32-28(30)34)15-17-9-3-2-4-10-17/h2-14,21,23,28,32H,15-16H2,1H3,(H,33,36) |
| InChI Key | XGALXCIYIXMPKV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H25N5O3 |
| Molecular Weight | 503.50 g/mol |
| Exact Mass | 503.19573968 g/mol |
| Topological Polar Surface Area (TPSA) | 94.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 2'-benzyl-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/e4177db0-8655-11ee-ac11-83a898131c06.jpg "2D Structure of 2'-benzyl-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 | 97.97% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.86% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.35% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.58% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.32% | 95.56% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 92.33% | 92.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.11% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.81% | 97.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 90.59% | 96.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.79% | 86.33% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 89.67% | 87.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.51% | 94.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.14% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.30% | 98.59% |
| CHEMBL228 | P31645 | Serotonin transporter | 87.05% | 95.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.77% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.72% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.63% | 94.45% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.31% | 95.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.47% | 95.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.68% | 95.50% |
| CHEMBL204 | P00734 | Thrombin | 80.39% | 96.01% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.23% | 94.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 163077600 |
| LOTUS | LTS0152040 |
| wikiData | Q104200951 |