(2-amino-3,6-dihydroimidazo[4',5':4,5]pyrido[2,3-b]indol-4-yl)(1H-indol-3-yl)methanone
| Internal ID | d46acadc-ae20-48dc-8229-e103a3630d7f |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Alpha carbolines |
| IUPAC Name | (4-amino-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl)-(1H-indol-3-yl)methanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H14N6O/c22-21-26-16-15-11-6-2-4-8-14(11)24-20(15)25-18(17(16)27-21)19(28)12-9-23-13-7-3-1-5-10(12)13/h1-9,23H,(H,24,25)(H3,22,26,27) |
| InChI Key | WNDIVVRKTNRQAS-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H14N6O |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.12290909 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.70 |
| (2-amino-3,6-dihydroimidazo[4',5':4,5]pyrido[2,3-b]indol-4-yl)(1H-indol-3-yl)methanone |
| InChI=1/C21H14N6O/c22-21-26-16-15-11-6-2-4-8-14(11)24-20(15)25-18(17(16)27-21)19(28)12-9-23-13-7-3-1-5-10(12)13/h1-9,23H,(H,24,25)(H3,22,26,27 |
| methanone, (2-amino-3,6-dihydroimidazo[4',5':4,5]pyrido[2,3-b]indol-4-yl)-1H-indol-3-yl- |
![2D Structure of (2-amino-3,6-dihydroimidazo[4',5':4,5]pyrido[2,3-b]indol-4-yl)(1H-indol-3-yl)methanone](https://plantaedb.com/storage/docs/compounds/2023/11/2-amino-36-dihydroimidazo4545pyrido23-bindol-4-yl1h-indol-3-ylmethanone.jpg "2D Structure of (2-amino-3,6-dihydroimidazo[4',5':4,5]pyrido[2,3-b]indol-4-yl)(1H-indol-3-yl)methanone")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.61% | 91.11% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 93.25% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.18% | 94.45% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 90.68% | 81.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.29% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.12% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.80% | 85.30% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.67% | 98.75% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 87.66% | 83.10% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.62% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.56% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.47% | 99.23% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.10% | 97.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.77% | 94.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.62% | 88.56% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 83.29% | 95.48% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 82.79% | 91.73% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.43% | 96.67% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 81.39% | 93.24% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 5324328 |
| LOTUS | LTS0125774 |
| wikiData | Q105309009 |