1-methyl-4-[(2S)-1-methyl-2,5-dihydropyrrol-2-yl]-9H-pyrido[3,4-b]indole
| Internal ID | 4fff5167-2f06-49f2-9cee-0a557dde0cfb |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 1-methyl-4-[(2S)-1-methyl-2,5-dihydropyrrol-2-yl]-9H-pyrido[3,4-b]indole |
| SMILES (Canonical) | CC1=NC=C(C2=C1NC3=CC=CC=C32)C4C=CCN4C |
| SMILES (Isomeric) | CC1=NC=C(C2=C1NC3=CC=CC=C32)[C@@H]4C=CCN4C |
| InChI | InChI=1S/C17H17N3/c1-11-17-16(12-6-3-4-7-14(12)19-17)13(10-18-11)15-8-5-9-20(15)2/h3-8,10,15,19H,9H2,1-2H3/t15-/m0/s1 |
| InChI Key | DQYGGWDZUIEGNE-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H17N3 |
| Molecular Weight | 263.34 g/mol |
| Exact Mass | 263.142247555 g/mol |
| Topological Polar Surface Area (TPSA) | 31.90 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 1-methyl-4-[(2S)-1-methyl-2,5-dihydropyrrol-2-yl]-9H-pyrido[3,4-b]indole](https://plantaedb.com/storage/docs/compounds/2023/11/1-methyl-4-2s-1-methyl-25-dihydropyrrol-2-yl-9h-pyrido34-bindole.jpg "2D Structure of 1-methyl-4-[(2S)-1-methyl-2,5-dihydropyrrol-2-yl]-9H-pyrido[3,4-b]indole")
| 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 | 95.43% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.53% | 88.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.01% | 93.65% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.87% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.64% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.25% | 85.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.14% | 96.39% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 87.08% | 85.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.62% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.56% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.47% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.34% | 93.99% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 86.07% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.93% | 94.75% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 84.54% | 89.44% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.51% | 94.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.60% | 90.71% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 83.18% | 96.47% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.44% | 97.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.93% | 90.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.28% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.21% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.06% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.84% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.56% | 96.25% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.41% | 98.59% |
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.
To see more specific details click the taxa you are interested in.
| Carex brevicollis |
| PubChem | 163186365 |
| LOTUS | LTS0199623 |
| wikiData | Q104987271 |