(S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
| Internal ID | 7260af3f-1195-401a-a349-8d6bc231568b |
| Taxonomy | Organoheterocyclic compounds > Benzodiazepines > 1,4-benzodiazepines |
| IUPAC Name | (6aS)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione |
| SMILES (Canonical) | C1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1 |
| SMILES (Isomeric) | C1C[C@H]2C(=O)NC3=CC=CC=C3C(=O)N2C1 |
| InChI | InChI=1S/C12H12N2O2/c15-11-10-6-3-7-14(10)12(16)8-4-1-2-5-9(8)13-11/h1-2,4-5,10H,3,6-7H2,(H,13,15)/t10-/m0/s1 |
| InChI Key | MXBNEEHQIDLPLQ-JTQLQIEISA-N |
| Popularity | 12 references in papers |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.24 g/mol |
| Exact Mass | 216.089877630 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 0.90 |
| Cycloanthranilylproline |
| 138865-23-3 |
| (6aS)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione |
| PBD-5,11-dione |
| Oprea1_043936 |
| CHEMBL388863 |
| SCHEMBL7270310 |
| CHEBI:181479 |
| MXBNEEHQIDLPLQ-JTQLQIEISA-N |
| DTXSID601347283 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of (S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione](https://plantaedb.com/storage/docs/compounds/2023/11/s-23-dihydro-1h-pyrrolo21-c14benzodiazepine-51110h11ah-dione.jpg "2D Structure of (S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.65% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.06% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 93.98% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.58% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.27% | 92.97% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.28% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.87% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.56% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.93% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.10% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.48% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.33% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.73% | 93.04% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.73% | 97.64% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.70% | 92.67% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.56% | 94.78% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.04% | 90.71% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.93% | 95.51% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.60% | 96.25% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.47% | 97.25% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.43% | 95.88% |
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.
| Isatis tinctoria |
| PubChem | 677114 |
| LOTUS | LTS0097385 |
| wikiData | Q105173964 |