Compound Detail
CHEMBL133334
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CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OC(=O)CCCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL133334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQFJAYPXULOTOI-NDXMFXSYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
519.0
MW (Da)
6.01
ALogP
6
HBA
2
HBD
118.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C3H 10T1/2 CHEMBL614531 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C3H 10T1/2 | IC50 | = | 600.0 | nM | 6.22 | Concentration required for inhibition of C3H10T1/2 progenitor cell growth | 12954063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954063 | 10.1021/jm0205649 | C3H 10T1/2 | 1 |
| 12954063 | 10.1021/jm0205649 | Peroxisome proliferator-activated receptor gamma | 1 |
| 12954063 | 10.1021/jm0205649 | Peroxisome proliferator-activated receptor alpha | 1 |
| 12954063 | 10.1021/jm0205649 | Nuclear receptor subfamily 1 group I member 2 | 1 |
| 12954063 | 10.1021/jm0205649 | Estrogen receptor | 1 |
| 12954063 | 10.1021/jm0205649 | Estrogen receptor beta | 1 |
| 12954063 | 10.1021/jm0205649 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine