5-(3-amino-3-carboxypropyl)-9-(6-carboxypiperidin-2-yl)-2,3,10,11,11a,11b-hexahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
| Internal ID | b495a4a4-8298-4dee-b8d9-601863a337eb |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines > Naphthyridine carboxylic acids and derivatives |
| IUPAC Name | 5-(3-amino-3-carboxypropyl)-9-(6-carboxypiperidin-2-yl)-2,3,10,11,11a,11b-hexahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid |
| SMILES (Canonical) | C1CC(NC(C1)C(=O)O)C2=CN3C=C(C4=NC(CCC4C3CC2)C(=O)O)CCC(C(=O)O)N |
| SMILES (Isomeric) | C1CC(NC(C1)C(=O)O)C2=CN3C=C(C4=NC(CCC4C3CC2)C(=O)O)CCC(C(=O)O)N |
| InChI | InChI=1S/C23H32N4O6/c24-15(21(28)29)7-4-13-11-27-10-12(16-2-1-3-17(25-16)22(30)31)5-9-19(27)14-6-8-18(23(32)33)26-20(13)14/h10-11,14-19,25H,1-9,24H2,(H,28,29)(H,30,31)(H,32,33) |
| InChI Key | RNAPMVLHEPFASW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32N4O6 |
| Molecular Weight | 460.50 g/mol |
| Exact Mass | 460.23218475 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | -4.60 |
| There are no found synonyms. |
![2D Structure of 5-(3-amino-3-carboxypropyl)-9-(6-carboxypiperidin-2-yl)-2,3,10,11,11a,11b-hexahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/44d24110-80dc-11ee-883f-837b800d78a5.jpg "2D Structure of 5-(3-amino-3-carboxypropyl)-9-(6-carboxypiperidin-2-yl)-2,3,10,11,11a,11b-hexahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.89% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.83% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.20% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.75% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.00% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.82% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.39% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.33% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.40% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.93% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.32% | 95.93% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 80.30% | 93.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.13% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.11% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.04% | 93.03% |
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.
| Oryza sativa |
| PubChem | 45274233 |
| LOTUS | LTS0207043 |
| wikiData | Q105241206 |