4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-amine
| Internal ID | 49f87283-0974-4bcd-bf5f-d225786e93af |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-amine |
| SMILES (Canonical) | C1CNC(C2=C1C3=CC=CC=C3N2)CCCCN |
| SMILES (Isomeric) | C1CNC(C2=C1C3=CC=CC=C3N2)CCCCN |
| InChI | InChI=1S/C15H21N3/c16-9-4-3-7-14-15-12(8-10-17-14)11-5-1-2-6-13(11)18-15/h1-2,5-6,14,17-18H,3-4,7-10,16H2 |
| InChI Key | RBYMMMUWJMTPBK-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C15H21N3 |
| Molecular Weight | 243.35 g/mol |
| Exact Mass | 243.173547683 g/mol |
| Topological Polar Surface Area (TPSA) | 53.80 Ų |
| XlogP | 1.70 |
| 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-amine |
| Nazlinine |
| DTXSID90929594 |
| 1-(4-Butylamino)-1,2,3,4-tetrahydro-beta-carboline |
| 1H-Azecino(5,4-b)indol-8-amine, 2,3,4,5,6,7,8,9-octahydro- |
| 2,3,4,5,6,7,8,9-Octahydro-1H-azecino(5,4-b)indol-8-amine |
![2D Structure of 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-amine](https://plantaedb.com/storage/docs/compounds/2023/11/4-2349-tetrahydro-1h-pyrido34-bindol-1-ylbutan-1-amine.jpg "2D Structure of 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)butan-1-amine")
| 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 | 98.50% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.49% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.36% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.63% | 95.56% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 89.91% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.15% | 94.45% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.84% | 88.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.84% | 91.71% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 84.68% | 94.01% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.12% | 98.59% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.89% | 97.79% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.58% | 93.18% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.33% | 98.95% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.16% | 93.81% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.00% | 94.62% |
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.
| Nitraria schoberi |
| PubChem | 126237 |
| LOTUS | LTS0033738 |
| wikiData | Q82904592 |