N,N-dimethyl-2-[(3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl]aniline
| Internal ID | 8f22c135-1ea6-4db2-9dfc-a66848bf7910 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Phenylpyrrolidines |
| IUPAC Name | N,N-dimethyl-2-[(3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl]aniline |
| SMILES (Canonical) | CN(C)C1=CC=CC=C1C2CCN3C2=NC4=CC=CC=C4C3 |
| SMILES (Isomeric) | CN(C)C1=CC=CC=C1[C@H]2CCN3C2=NC4=CC=CC=C4C3 |
| InChI | InChI=1S/C19H21N3/c1-21(2)18-10-6-4-8-15(18)16-11-12-22-13-14-7-3-5-9-17(14)20-19(16)22/h3-10,16H,11-13H2,1-2H3/t16-/m1/s1 |
| InChI Key | SAEPCOKFKLLTED-MRXNPFEDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21N3 |
| Molecular Weight | 291.40 g/mol |
| Exact Mass | 291.173547683 g/mol |
| Topological Polar Surface Area (TPSA) | 18.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of N,N-dimethyl-2-[(3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl]aniline](https://plantaedb.com/storage/docs/compounds/2023/11/nn-dimethyl-2-3r-1239-tetrahydropyrrolo21-bquinazolin-3-ylaniline.jpg "2D Structure of N,N-dimethyl-2-[(3R)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl]aniline")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.80% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.72% | 98.95% |
| CHEMBL228 | P31645 | Serotonin transporter | 96.08% | 95.51% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.17% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.52% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.48% | 83.82% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 91.36% | 96.25% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.38% | 93.65% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.06% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.50% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.57% | 93.40% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.26% | 90.17% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.25% | 85.49% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 84.00% | 96.06% |
| CHEMBL2801 | Q13557 | CaM kinase II delta | 83.45% | 84.49% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 83.31% | 92.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.86% | 97.25% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.48% | 90.24% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 82.28% | 93.81% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 82.20% | 81.29% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.53% | 91.43% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.14% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.04% | 95.89% |
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.
| Justicia adhatoda |
| PubChem | 154497653 |
| LOTUS | LTS0213793 |
| wikiData | Q105248812 |