cyclo[DL-Gln-DL-N(Me)Phe-Gly-DL-Phe-DL-N(Me)Phe-Gly]
| Internal ID | 2848b3f9-4198-42e1-bc5e-7ef97e80aa2d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 3-(5,11,14-tribenzyl-4,13-dimethyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl)propanamide |
| SMILES (Canonical) | CN1C(C(=O)NCC(=O)NC(C(=O)N(C(C(=O)NCC(=O)NC(C1=O)CCC(=O)N)CC2=CC=CC=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4 |
| SMILES (Isomeric) | CN1C(C(=O)NCC(=O)NC(C(=O)N(C(C(=O)NCC(=O)NC(C1=O)CCC(=O)N)CC2=CC=CC=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4 |
| InChI | InChI=1S/C38H45N7O7/c1-44-30(21-26-14-8-4-9-15-26)35(49)41-24-34(48)43-29(20-25-12-6-3-7-13-25)38(52)45(2)31(22-27-16-10-5-11-17-27)36(50)40-23-33(47)42-28(37(44)51)18-19-32(39)46/h3-17,28-31H,18-24H2,1-2H3,(H2,39,46)(H,40,50)(H,41,49)(H,42,47)(H,43,48) |
| InChI Key | UTVCBQCZOQNCAY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H45N7O7 |
| Molecular Weight | 711.80 g/mol |
| Exact Mass | 711.33804680 g/mol |
| Topological Polar Surface Area (TPSA) | 200.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Gln-DL-N(Me)Phe-Gly-DL-Phe-DL-N(Me)Phe-Gly]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-gln-dl-nmephe-gly-dl-phe-dl-nmephe-gly.jpg "2D Structure of cyclo[DL-Gln-DL-N(Me)Phe-Gly-DL-Phe-DL-N(Me)Phe-Gly]")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.22% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.12% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.51% | 85.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 93.58% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.11% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.48% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.28% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.70% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.62% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.13% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.06% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.30% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.97% | 90.00% |
| CHEMBL4071 | P08311 | Cathepsin G | 82.80% | 94.64% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.25% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.04% | 93.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.58% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.52% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73208995 |
| LOTUS | LTS0126685 |
| wikiData | Q104198894 |