Compound Detail
CHEMBL1099355
TRECHONOLIDE A Enter ChEMBL ID:
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CC1=C(C)[C@H]([C@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@H]5O[C@]56CC=CC(=O)[C@]46C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O
Basic Information
| ChEMBL ID | CHEMBL1099355 |
| Name | TRECHONOLIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFPJMEIBOYFMKC-GQYGZUCJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
2.83
ALogP
7
HBA
2
HBD
105.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.11 | 5.11 | 7740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 7740.0 | nM | 5.11 | Growth inhibition of mouse Hepa-1c1c7 cells by crystal violet staining | 12027740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17428092 | 10.1021/np070030g | Lactuca sativa | 4 |
| 17428092 | 10.1021/np070030g | Avena sativa | 4 |
| 12027740 | 10.1021/np0106337 | Unchecked | 2 |
| 12027740 | 10.1021/np0106337 | Quinone oxidoreductase | 2 |
| 12027740 | 10.1021/np0106337 | ADMET | 1 |
| 20438092 | 10.1021/np9006734 | SK-BR-3 | 1 |
| 20438092 | 10.1021/np9006734 | MDA-MB-231 | 1 |
| 20438092 | 10.1021/np9006734 | NON-PROTEIN TARGET | 1 |
| 20438092 | 10.1021/np9006734 | MCF7 | 1 |
| 20438092 | 10.1021/np9006734 | T47D | 1 |
| 10775402 | 10.1021/jf990006b | Tenebrio molitor | 1 |
Data from ChEMBL 36 via Core Engine