1-{4-[(3-Aminopropyl)amino]butyl}guanidine
| Internal ID | 281253f2-59aa-4ec8-8bf7-42385e68afc2 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Guanidines |
| IUPAC Name | 2-[4-(3-aminopropylamino)butyl]guanidine |
| SMILES (Canonical) | C(CCN=C(N)N)CNCCCN |
| SMILES (Isomeric) | C(CCN=C(N)N)CNCCCN |
| InChI | InChI=1S/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13) |
| InChI Key | XYCUJKFFVBCJEF-UHFFFAOYSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C8H21N5 |
| Molecular Weight | 187.29 g/mol |
| Exact Mass | 187.17969569 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | -1.60 |
| 1-{4-[(3-Aminopropyl)amino]butyl}guanidine |
| N(1)-aminoaminopropylagmatine |
| N(1)-(3-aminoaminopropyl)agmatine |
| N1-(3-Aminopropyl)agmatine |
| 2-[4-(3-aminopropylamino)butyl]guanidine |
| N-8-Guanidino-spermidine |
| guanylspermidine |
| 15271-46-2 |
| AG3 |
| SCHEMBL1736028 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 1-{4-[(3-Aminopropyl)amino]butyl}guanidine](https://plantaedb.com/storage/docs/compounds/2023/11/1-4-3-aminopropylaminobutylguanidine.jpg "2D Structure of 1-{4-[(3-Aminopropyl)amino]butyl}guanidine")
| 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 | 95.13% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.37% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.50% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.96% | 99.17% |
| CHEMBL2185 | Q96GD4 | Serine/threonine-protein kinase Aurora-B | 84.87% | 96.80% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.67% | 97.29% |
| CHEMBL4501 | P23443 | Ribosomal protein S6 kinase 1 | 83.84% | 97.87% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 83.79% | 97.03% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.75% | 95.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.45% | 97.23% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.03% | 91.79% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 80.89% | 91.83% |
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.
| Artocarpus altilis |
| Artocarpus integer |
| Broussonetia papyrifera |
| Glycyrrhiza glabra |
| Maclura pomifera |
| Morus alba |
| Morus mesozygia |
| Morus nigra |
| PubChem | 541551 |
| LOTUS | LTS0215385 |
| wikiData | Q104400406 |