1-[3-[3-[(1-carboxy-2-hydroxypropyl)carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
| Internal ID | 4a7ebb6f-977a-46bb-b539-6135016e5053 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 1-[3-[3-[(1-carboxy-2-hydroxypropyl)carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H26N4O7/c1-12(29)20(24(34)35)27-22(31)17-11-14-13-5-2-3-6-15(13)26-21(14)16(25-17)8-9-19(30)28-10-4-7-18(28)23(32)33/h2-3,5-6,11-12,18,20,26,29H,4,7-10H2,1H3,(H,27,31)(H,32,33)(H,34,35) |
| InChI Key | WSKQZEUUAGIUOB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26N4O7 |
| Molecular Weight | 482.50 g/mol |
| Exact Mass | 482.18014918 g/mol |
| Topological Polar Surface Area (TPSA) | 173.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 1-[3-[3-[(1-carboxy-2-hydroxypropyl)carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/91dc08b0-84c4-11ee-bfc8-0fc8887f99af.jpg "2D Structure of 1-[3-[3-[(1-carboxy-2-hydroxypropyl)carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.92% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.88% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.74% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.05% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.28% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.83% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.73% | 83.82% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 91.18% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.04% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.72% | 99.23% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.62% | 98.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.88% | 91.11% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.28% | 99.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.86% | 93.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.49% | 93.03% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.04% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.64% | 99.17% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 85.15% | 97.56% |
| CHEMBL5028 | O14672 | ADAM10 | 83.65% | 97.50% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.36% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.98% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.82% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.51% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.50% | 97.09% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.30% | 97.50% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.13% | 97.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.37% | 96.00% |
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 | 78119509 |
| LOTUS | LTS0239034 |
| wikiData | Q104200589 |