Ammosamide A
| Internal ID | 94ef6e27-accb-464c-987c-f3ebf388b0e8 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinoline carboxamides |
| IUPAC Name | 9,11-diamino-10-chloro-2-methyl-3-sulfanylidene-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H10ClN5OS/c1-18-10-5-3(12(18)20)2-4(11(16)19)17-9(5)7(14)6(13)8(10)15/h2H,14-15H2,1H3,(H2,16,19) |
| InChI Key | MDUNZVLKLOSLRK-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C12H10ClN5OS |
| Molecular Weight | 307.76 g/mol |
| Exact Mass | 307.0294588 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 0.40 |
| SCHEMBL261071 |
| CHEMBL4100877 |
| 9,11-diamino-10-chloro-2-methyl-3-sulfanylidene-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide |
| 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 | 97.23% | 96.09% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 93.10% | 94.42% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 91.49% | 89.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.43% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.20% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.73% | 93.65% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.42% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.37% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.24% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.43% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.18% | 98.95% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 81.28% | 94.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.22% | 90.71% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.91% | 91.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.48% | 94.73% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.44% | 80.71% |
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 | 25172829 |
| LOTUS | LTS0094367 |
| wikiData | Q75057975 |