Compound Detail
CHEMBL214932
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Basic Information
| ChEMBL ID | CHEMBL214932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEKCOALNZLRGJA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
2.65
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL4430 | IC50 | 5.71 | 5.135 | 1960.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 310.0 | nM | 6.51 | Inhibition of human placental microsome CYP19 | 20413308 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 1960.0 | nM | 5.71 | Inhibition of rat testis 17,20 lyase component of P450-17alpha | 16870430 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 27810.0 | nM | 4.56 | Inhibition of rat testis 17-alpha-hydroxylase component of P450-17alpha | 16870430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870430 | 10.1016/j.bmcl.2006.06.092 | Steroid 17-alpha-hydroxylase/17,20 lyase | 4 |
| 20413308 | 10.1016/j.bmcl.2010.03.113 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine