Compound Detail
CHEMBL90077
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Basic Information
| ChEMBL ID | CHEMBL90077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWSFHWMUYSQTSF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.78
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.31 | 5.31 | 4897.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 4900.0 | nM | 5.31 | In vitro inhibitory concentration against Aromatase was determined using [1-beta... | 1895288 |
| Aromatase | IC50 | = | 4897.79 | nM | 5.31 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1895288 | 10.1021/jm00113a004 | Aromatase | 2 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine