Compound Detail
CHEMBL512994
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Basic Information
| ChEMBL ID | CHEMBL512994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKOSMEBPRDYEEZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
3.27
ALogP
4
HBA
1
HBD
70.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.03 | 7.03 | 93.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 93.8 | nM | 7.03 | Inhibition of aromatase in human placental microsomes | 18640836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18640836 | 10.1016/j.bmcl.2008.06.094 | Aromatase | 2 |
| 18640836 | 10.1016/j.bmcl.2008.06.094 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
Data from ChEMBL 36 via Core Engine