10-Amino-2-methyl-3-methylsulfanyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
| Internal ID | 1a18123d-903f-4493-837a-a707e131cfba |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines > Pyrrolo[4,3,2-de]quinolines |
| IUPAC Name | 10-amino-2-methyl-3-methylsulfanyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H13N3OS/c1-15-10-9-6(12(15)17-2)3-4-14-8(9)5-7(13)11(10)16/h5H,3-4,13H2,1-2H3 |
| InChI Key | BWQVVSNLZOCGOQ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C12H13N3OS |
| Molecular Weight | 247.32 g/mol |
| Exact Mass | 247.07793322 g/mol |
| Topological Polar Surface Area (TPSA) | 85.70 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 10-Amino-2-methyl-3-methylsulfanyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/10-amino-2-methyl-3-methylsulfanyl-27-diazatricyclo6310412dodeca-112379-tetraen-11-one.jpg "2D Structure of 10-Amino-2-methyl-3-methylsulfanyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.03% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.18% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.20% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.79% | 95.93% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 89.07% | 91.76% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 86.60% | 95.69% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 86.41% | 80.71% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.56% | 96.67% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 85.11% | 98.46% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.90% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.74% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.81% | 94.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.58% | 94.42% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.68% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.65% | 93.65% |
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 | 10332216 |
| LOTUS | LTS0070195 |
| wikiData | Q104947555 |