Compound Detail
CHEMBL3358033
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C=C[C@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)O[C@]1(C)CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]21
Basic Information
| ChEMBL ID | CHEMBL3358033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEAHHMLIRIMDNS-PMKWWRLWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.8
MW (Da)
6.98
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1900.0 | nM | 5.72 | Agonist activity at human PPARgamma expressed in HEK293 cells incubated for 18 h... | 25333853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25333853 | 10.1021/np500605v | Peroxisome proliferator-activated receptor gamma | 2 |
| 25333853 | 10.1021/np500605v | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine