Cortistatin-A
| Internal ID | 4e8fd496-15cf-48c2-ad75-d0d84a01bbd5 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives |
| IUPAC Name | 14-(dimethylamino)-5-isoquinolin-7-yl-6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene-12,13-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3 |
| InChI Key | KSGZCKSNTAJOJS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H36N2O3 |
| Molecular Weight | 472.60 g/mol |
| Exact Mass | 472.27259301 g/mol |
| Topological Polar Surface Area (TPSA) | 65.80 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL3038474 | P49336 | CDK8/Cyclin C |
5 nM |
IC50 |
via Super-PRED
|
| CHEMBL6002 | Q9BWU1 | Cell division cycle 2-like protein kinase 6 |
100 nM 10 nM |
IC50 IC50 |
via Super-PRED
via Super-PRED |
| CHEMBL5719 | P49336 | Cell division protein kinase 8 |
12 nM 12 nM 15 nM |
IC50 IC50 IC50 |
via Super-PRED
via Super-PRED via Super-PRED |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 |
250 nM |
IC50 |
via Super-PRED
|
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 |
220 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.63% | 91.11% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 93.75% | 85.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.38% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.12% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.66% | 95.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.37% | 91.49% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 88.10% | 92.97% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.84% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.57% | 85.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.85% | 94.45% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.70% | 89.44% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.64% | 97.25% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.04% | 97.33% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 83.86% | 98.99% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.74% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.35% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.67% | 92.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.30% | 90.17% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 82.00% | 88.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.94% | 94.00% |
| CHEMBL204 | P00734 | Thrombin | 81.63% | 96.01% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.41% | 89.00% |
| CHEMBL2000 | P03952 | Plasma kallikrein | 80.77% | 93.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.30% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.11% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 73007612 |
| LOTUS | LTS0080294 |
| wikiData | Q105145401 |