2-[(9S)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile
| Internal ID | 5d3501dc-bbee-48ed-bc2a-894cc0ea53a5 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Indoloquinolines |
| IUPAC Name | 2-[(9S)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H16ClN3/c17-16-12-7-14-11(6-9(4-5-18)8-19-14)10-2-1-3-13(20-16)15(10)12/h1-3,9,11,14,19-20H,4,6-8H2/t9-,11?,14?/m1/s1 |
| InChI Key | QSRIXAFISHOVGA-FDMSEYEVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H16ClN3 |
| Molecular Weight | 285.77 g/mol |
| Exact Mass | 285.1032752 g/mol |
| Topological Polar Surface Area (TPSA) | 51.60 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 2-[(9S)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile](https://plantaedb.com/storage/docs/compounds/2023/11/2-9s-5-chloro-466a7891010a-octahydroindolo43-fgquinolin-9-ylacetonitrile.jpg "2D Structure of 2-[(9S)-5-chloro-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile")
| 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 |
|---|---|---|---|---|
| CHEMBL3553 | P29597 | Tyrosine-protein kinase TYK2 | 97.93% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.84% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.75% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.25% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.68% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.09% | 97.09% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 92.47% | 97.23% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 92.31% | 96.42% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.15% | 98.75% |
| CHEMBL228 | P31645 | Serotonin transporter | 90.56% | 95.51% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.27% | 94.08% |
| CHEMBL240 | Q12809 | HERG | 90.09% | 89.76% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 89.30% | 89.32% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.54% | 93.99% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.45% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.29% | 98.95% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 86.93% | 97.69% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.84% | 85.30% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.25% | 97.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.31% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.06% | 96.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.80% | 86.92% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.75% | 89.62% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 84.64% | 94.55% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.13% | 97.21% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.99% | 88.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.82% | 80.96% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.80% | 91.71% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.57% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.17% | 95.89% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 80.72% | 91.76% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 80.44% | 96.06% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.43% | 86.33% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.12% | 93.24% |
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 | 163057098 |
| LOTUS | LTS0069532 |
| wikiData | Q105227262 |