Compound Detail
CHEMBL4583456
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Basic Information
| ChEMBL ID | CHEMBL4583456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEQHTTKNYWNYDK-ZWKOTPCHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.00
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 91.0 | nM | 7.04 | Inhibition of aromatase (unknown origin) | 31129450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31129450 | 10.1016/j.ejmech.2019.05.023 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine