Compound Detail
CHEMBL445171
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Basic Information
| ChEMBL ID | CHEMBL445171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPMQRSIZLKLPLH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
4.30
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 6.62 | 6.29 | 240.0 | 2 |
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL4430 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human testicular CYP17 | 37191389 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 540.0 | nM | 6.27 | Inhibition of rat testicular CYP17 | 37191389 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochr... | 18674917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37191389 | 10.1021/acs.jmedchem.3c00442 | Steroid 17-alpha-hydroxylase/17,20 lyase | 2 |
| 18674917 | 10.1016/j.bmc.2008.07.011 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
Data from ChEMBL 36 via Core Engine