Compound Detail
CHEMBL491692
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Basic Information
| ChEMBL ID | CHEMBL491692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDTIWXQUWIKIMB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.91
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 4.46 | 4.46 | 34593.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 34593.94 | nM | 4.46 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 521818 | 10.1021/np50005a008 | NON-PROTEIN TARGET | 2 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 2 |
Data from ChEMBL 36 via Core Engine