CID 5256200
| Internal ID | aa9de0b2-9d72-4dad-a2c4-38f2f13372ff |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | 2-azaniumyl-4-(diaminomethylideneamino)oxybutanoate |
| SMILES (Canonical) | C(CON=C(N)N)C(C(=O)[O-])[NH3+] |
| SMILES (Isomeric) | C(CON=C(N)N)C(C(=O)[O-])[NH3+] |
| InChI | InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9) |
| InChI Key | FSBIGDSBMBYOPN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C5H12N4O3 |
| Molecular Weight | 176.17 g/mol |
| Exact Mass | 176.09094026 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | -3.40 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293236 | P46063 | ATP-dependent DNA helicase Q1 |
177.8 nM |
Potency |
via CMAUP
|
| CHEMBL1293237 | P54132 | Bloom syndrome protein |
44668.4 nM 44668.4 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 |
39.8 nM 39.8 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit |
5011.9 nM 5011.9 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1293235 | P02545 | Prelamin-A/C |
28183.8 nM 6309.6 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1293232 | Q16637 | Survival motor neuron protein |
4466.8 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.80% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.13% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.70% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.21% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.08% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.57% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.54% | 90.71% |
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.
| Astragalus sinicus |
| Canavalia gladiata |
| PubChem | 5256200 |
| NPASS | NPC322091 |
| ChEMBL | CHEMBL182461 |