Compound Detail
CHEMBL129883
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
CC12CCC3C(Cc4c5c(nn4Cc4ccc([N+](=O)[O-])cc4)C(=O)CCC53C)C1CCC2=O
Basic Information
| ChEMBL ID | CHEMBL129883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYEFAKCCVSSKBP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.64
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 490.0 | nM | 6.31 | Inhibition of cytochrome P450 19A1 aromatase from human placental microsomes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00033-4 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine