N-[5-[3-(3-aminopropylamino)propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
| Internal ID | 14c0e380-7528-45ce-b153-da308c009150 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Asparagine and derivatives |
| IUPAC Name | N-[5-[3-(3-aminopropylamino)propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H38N6O6/c24-8-4-9-26-12-7-21(33)27-10-2-1-3-11-28-23(35)18(15-20(25)32)29-22(34)13-16-5-6-17(30)14-19(16)31/h5-6,14,18,26,30-31H,1-4,7-13,15,24H2,(H2,25,32)(H,27,33)(H,28,35)(H,29,34) |
| InChI Key | RCJWOODZVDWOGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H38N6O6 |
| Molecular Weight | 494.60 g/mol |
| Exact Mass | 494.28528295 g/mol |
| Topological Polar Surface Area (TPSA) | 209.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of N-[5-[3-(3-aminopropylamino)propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide](https://plantaedb.com/storage/docs/compounds/2023/11/12594a00-86c1-11ee-947c-4995b42ea376.jpg "2D Structure of N-[5-[3-(3-aminopropylamino)propanoylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide")
| 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 | 99.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.51% | 98.95% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 98.34% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.73% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.75% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.07% | 90.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 92.88% | 82.86% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.00% | 97.21% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.19% | 91.79% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.57% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.12% | 99.15% |
| CHEMBL3891 | P07384 | Calpain 1 | 89.81% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.12% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 88.81% | 93.10% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.77% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.74% | 90.17% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 87.50% | 89.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.45% | 93.18% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.86% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.39% | 94.45% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.91% | 96.67% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.92% | 100.00% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 84.71% | 94.01% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.49% | 85.00% |
| CHEMBL2216739 | Q92523 | Carnitine O-palmitoyltransferase 1, muscle isoform | 83.31% | 88.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.19% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.39% | 94.73% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.01% | 80.00% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 80.95% | 83.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.90% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.18% | 96.95% |
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compound!
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| There are no matching plants. |
| PubChem | 10051430 |
| LOTUS | LTS0197368 |
| wikiData | Q105233729 |