cyclo[Ala-N(Me)Trp(2-Cl)-bTyr(R)-Unk]
| Internal ID | 522ca883-5903-4614-b2ab-022c4d6059dd |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (4S,7S,10S,13R,15Z,17R,18R)-7-[(2-chloro-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone |
| SMILES (Canonical) | CC1CC(=CC(C(OC(=O)CC(NC(=O)C(N(C(=O)C(NC1=O)C)C)CC2=C(NC3=CC=CC=C32)Cl)C4=CC=C(C=C4)O)C)C)C |
| SMILES (Isomeric) | C[C@@H]1C/C(=C\[C@H]([C@H](OC(=O)C[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC1=O)C)C)CC2=C(NC3=CC=CC=C32)Cl)C4=CC=C(C=C4)O)C)C)/C |
| InChI | InChI=1S/C35H43ClN4O6/c1-19-15-20(2)23(5)46-31(42)18-29(24-11-13-25(41)14-12-24)39-34(44)30(17-27-26-9-7-8-10-28(26)38-32(27)36)40(6)35(45)22(4)37-33(43)21(3)16-19/h7-15,20-23,29-30,38,41H,16-18H2,1-6H3,(H,37,43)(H,39,44)/b19-15-/t20-,21-,22+,23-,29+,30+/m1/s1 |
| InChI Key | IWARTZQXZZVCBY-JCSOAUFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H43ClN4O6 |
| Molecular Weight | 651.20 g/mol |
| Exact Mass | 650.2871128 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of cyclo[Ala-N(Me)Trp(2-Cl)-bTyr(R)-Unk]](https://plantaedb.com/storage/docs/compounds/2023/11/cycloala-nmetrp2-cl-btyrr-unk.jpg "2D Structure of cyclo[Ala-N(Me)Trp(2-Cl)-bTyr(R)-Unk]")
| 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 | 98.58% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.02% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.74% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.43% | 90.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.09% | 88.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.60% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.28% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.54% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.84% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.91% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.28% | 96.39% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.12% | 89.44% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.80% | 94.45% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.60% | 89.67% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.58% | 95.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.16% | 98.59% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.37% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.18% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.44% | 86.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.61% | 90.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.17% | 90.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.70% | 85.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.19% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.82% | 91.49% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 81.38% | 95.48% |
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.
| There are no matching plants. |
| PubChem | 162933922 |
| LOTUS | LTS0082349 |
| wikiData | Q105121439 |