Compound Detail
CHEMBL4632445
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Basic Information
| ChEMBL ID | CHEMBL4632445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQXMRCJLBFYIDH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.98
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 11.0 | 8.555 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 0.01 | nM | 11.0 | Inhibition of aromatase in human JEG-3 cells using Androst-4-ene-3,17-dione as s... | 35834906 |
| Aromatase | IC50 | = | 770.0 | nM | 6.11 | Inhibition of recombinant human aromatase preincubated for 10 mins followed by s... | 32435378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32435378 | 10.1021/acsmedchemlett.9b00591 | Aromatase | 1 |
| 32435378 | 10.1021/acsmedchemlett.9b00591 | MCF7 | 1 |
| 32435378 | 10.1021/acsmedchemlett.9b00591 | MDA-MB-231 | 1 |
| 35834906 | 10.1016/j.ejmech.2022.114569 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine