cyclo[DL-Glu-Gly-DL-Ser-DL-Pro]
| Internal ID | ccf6fe69-8e79-456e-a5ea-ae872620dc62 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 3-[3-(hydroxymethyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22N4O7/c20-7-9-15(26)19-5-1-2-10(19)14(25)18-8(3-4-12(22)23)13(24)16-6-11(21)17-9/h8-10,20H,1-7H2,(H,16,24)(H,17,21)(H,18,25)(H,22,23) |
| InChI Key | HCPCZMCZJYSIAJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H22N4O7 |
| Molecular Weight | 370.36 g/mol |
| Exact Mass | 370.14884905 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | -2.10 |
| Atomic LogP (AlogP) | -3.07 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 5 |
| Rotatable Bonds | 4 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Glu-Gly-DL-Ser-DL-Pro]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-glu-gly-dl-ser-dl-pro.jpg "2D Structure of cyclo[DL-Glu-Gly-DL-Ser-DL-Pro]")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.6940 | 69.40% |
| Caco-2 | - | 0.8728 | 87.28% |
| Blood Brain Barrier | - | 0.6000 | 60.00% |
| Human oral bioavailability | - | 0.6000 | 60.00% |
| Subcellular localzation | Mitochondria | 0.5859 | 58.59% |
| OATP2B1 inhibitior | - | 0.8598 | 85.98% |
| OATP1B1 inhibitior | + | 0.8910 | 89.10% |
| OATP1B3 inhibitior | + | 0.9395 | 93.95% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | - | 0.8239 | 82.39% |
| P-glycoprotein inhibitior | - | 0.8893 | 88.93% |
| P-glycoprotein substrate | + | 0.5861 | 58.61% |
| CYP3A4 substrate | + | 0.5121 | 51.21% |
| CYP2C9 substrate | - | 0.8000 | 80.00% |
| CYP2D6 substrate | - | 0.8288 | 82.88% |
| CYP3A4 inhibition | - | 0.9793 | 97.93% |
| CYP2C9 inhibition | - | 0.9736 | 97.36% |
| CYP2C19 inhibition | - | 0.9583 | 95.83% |
| CYP2D6 inhibition | - | 0.9590 | 95.90% |
| CYP1A2 inhibition | - | 0.9036 | 90.36% |
| CYP2C8 inhibition | - | 0.8280 | 82.80% |
| CYP inhibitory promiscuity | - | 0.9931 | 99.31% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.8900 | 89.00% |
| Carcinogenicity (trinary) | Non-required | 0.6351 | 63.51% |
| Eye corrosion | - | 0.9860 | 98.60% |
| Eye irritation | - | 0.9581 | 95.81% |
| Skin irritation | - | 0.7576 | 75.76% |
| Skin corrosion | - | 0.9398 | 93.98% |
| Ames mutagenesis | - | 0.7500 | 75.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.8761 | 87.61% |
| Micronuclear | + | 0.8100 | 81.00% |
| Hepatotoxicity | + | 0.6125 | 61.25% |
| skin sensitisation | - | 0.9161 | 91.61% |
| Respiratory toxicity | + | 0.7000 | 70.00% |
| Reproductive toxicity | + | 0.7333 | 73.33% |
| Mitochondrial toxicity | + | 0.8250 | 82.50% |
| Nephrotoxicity | + | 0.5389 | 53.89% |
| Acute Oral Toxicity (c) | III | 0.4962 | 49.62% |
| Estrogen receptor binding | - | 0.6098 | 60.98% |
| Androgen receptor binding | - | 0.6484 | 64.84% |
| Thyroid receptor binding | - | 0.5571 | 55.71% |
| Glucocorticoid receptor binding | - | 0.5066 | 50.66% |
| Aromatase binding | - | 0.6277 | 62.77% |
| PPAR gamma | - | 0.4861 | 48.61% |
| Honey bee toxicity | - | 0.9485 | 94.85% |
| Biodegradation | - | 0.6500 | 65.00% |
| Crustacea aquatic toxicity | - | 0.7900 | 79.00% |
| Fish aquatic toxicity | - | 0.8041 | 80.41% |
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 | 97.95% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.42% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.67% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.48% | 83.82% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.99% | 97.05% |
| CHEMBL4071 | P08311 | Cathepsin G | 90.48% | 94.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.12% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.57% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.72% | 95.50% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.40% | 95.62% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 88.26% | 97.64% |
| CHEMBL228 | P31645 | Serotonin transporter | 88.10% | 95.51% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.87% | 82.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.75% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.35% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.26% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.26% | 97.09% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 86.11% | 94.00% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 85.42% | 96.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.65% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.86% | 93.04% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.79% | 92.97% |
| CHEMBL1801 | P00747 | Plasminogen | 83.41% | 92.44% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.10% | 93.03% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.74% | 91.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.47% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.76% | 99.23% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 80.36% | 87.50% |
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 | 72816486 |
| LOTUS | LTS0271909 |
| wikiData | Q105025901 |