Compound Detail
CHEMBL3753593
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@@H]3CO3)[C@@H]1CCC2=O
Basic Information
| ChEMBL ID | CHEMBL3753593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJEROASYJCSDIU-WKSOIMLMSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.47
ALogP
3
HBA
0
HBD
46.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | Ki | 9.0 | 8.3833 | 1.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | Ki | = | 1.0 | nM | 9.0 | Inhibition of aromatase (unknown origin) | 26469743 |
| Aromatase | Ki | = | 7.0 | nM | 8.15 | Time dependent inhibition of human aromatase extracted from placental microsomes | 26469743 |
| Aromatase | Ki | = | 10.0 | nM | 8.0 | Competitive inhibition of human aromatase extracted from placental microsomes in... | 26469743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26469743 | 10.1016/j.ejmech.2015.09.038 | Aromatase | 3 |
Data from ChEMBL 36 via Core Engine