N-[(E)-3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
| Internal ID | eed115d4-12ab-4dc2-af4d-2b43fe7e9aa1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > 2-heteroaryl carboxamides |
| IUPAC Name | N-[(E)-3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide |
| SMILES (Canonical) | C1C(NC(=N1)N)C=CCNC(=O)C2=CC(=C(N2)Br)Br |
| SMILES (Isomeric) | C1[C@H](NC(=N1)N)/C=C/CNC(=O)C2=CC(=C(N2)Br)Br |
| InChI | InChI=1S/C11H13Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4,6,18H,3,5H2,(H,15,19)(H3,14,16,17)/b2-1+/t6-/m1/s1 |
| InChI Key | ZGGPDLUWQBSAMI-UGQQDIOTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H13Br2N5O |
| Molecular Weight | 391.06 g/mol |
| Exact Mass | 390.94664 g/mol |
| Topological Polar Surface Area (TPSA) | 95.30 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of N-[(E)-3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/016a3010-849c-11ee-aa39-1f165ef61a49.jpg "2D Structure of N-[(E)-3-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-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 | 97.74% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.28% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.62% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.34% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.12% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.72% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.11% | 97.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.04% | 89.67% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.83% | 96.76% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.54% | 98.59% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 80.32% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.03% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163189563 |
| LOTUS | LTS0119713 |
| wikiData | Q105375163 |