N-[(2S,3Z)-3-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
| Internal ID | 66108fdd-241e-4ec6-939d-da0b3bf25ef0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > 2-heteroaryl carboxamides |
| IUPAC Name | N-[(2S,3Z)-3-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide |
| SMILES (Canonical) | C1=CNC(=C1)C(=O)NCC(C=C2C(=O)NC(=N2)N)O |
| SMILES (Isomeric) | C1=CNC(=C1)C(=O)NC[C@H](/C=C\2/C(=O)NC(=N2)N)O |
| InChI | InChI=1S/C11H13N5O3/c12-11-15-8(10(19)16-11)4-6(17)5-14-9(18)7-2-1-3-13-7/h1-4,6,13,17H,5H2,(H,14,18)(H3,12,15,16,19)/b8-4-/t6-/m0/s1 |
| InChI Key | XBDZXMMXYLRCFX-OJYYCGRUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H13N5O3 |
| Molecular Weight | 263.25 g/mol |
| Exact Mass | 263.10183929 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | -1.60 |
| There are no found synonyms. |
![2D Structure of N-[(2S,3Z)-3-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2s3z-3-2-amino-5-oxo-1h-imidazol-4-ylidene-2-hydroxypropyl-1h-pyrrole-2-carboxamide.jpg "2D Structure of N-[(2S,3Z)-3-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-hydroxypropyl]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.19% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.87% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.82% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.52% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.91% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.38% | 85.30% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.77% | 83.10% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 88.41% | 95.00% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 87.20% | 81.58% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.75% | 89.67% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.07% | 83.82% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.70% | 92.88% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.21% | 80.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.14% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.14% | 100.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.04% | 81.11% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163189475 |
| LOTUS | LTS0070794 |
| wikiData | Q105324335 |