N-[[2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1-methylpyrrole-2-carboxamide
| Internal ID | 95289a5d-e5bd-45b1-a4b5-0185531b58f5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > 2-heteroaryl carboxamides |
| IUPAC Name | N-[[2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1-methylpyrrole-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H26Br2N10O2/c1-35-9-12(25)4-17(35)21(37)29-5-10-2-14-19(34-23(27)32-14)18(16-8-31-22(26)33-16)13(10)7-30-20(36)15-3-11(24)6-28-15/h3-4,6,8-10,13,18,28H,2,5,7H2,1H3,(H,29,37)(H,30,36)(H3,26,31,33)(H3,27,32,34) |
| InChI Key | NORDPOKWXWJDTC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26Br2N10O2 |
| Molecular Weight | 634.30 g/mol |
| Exact Mass | 634.05865 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of N-[[2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1-methylpyrrole-2-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/00efa900-877f-11ee-bc9c-2f360cb15ad9.jpg "2D Structure of N-[[2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4-bromo-1-methylpyrrole-2-carboxamide")
| 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 | 99.56% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.45% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.15% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.60% | 94.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.37% | 95.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.27% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.18% | 91.03% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.81% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.18% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.17% | 94.75% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.06% | 93.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.83% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.97% | 89.34% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.55% | 92.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.37% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.72% | 95.56% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.45% | 97.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.37% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.26% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.00% | 99.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.93% | 96.90% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.91% | 97.21% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.87% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.60% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.26% | 90.00% |
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 | 73836164 |
| LOTUS | LTS0128701 |
| wikiData | Q105182722 |