Compound Detail
CHEMBL427399
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Basic Information
| ChEMBL ID | CHEMBL427399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZKZRSOWLZKJCL-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.1
MW (Da)
2.54
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL4430 | IC50 | 6.79 | 5.755 | 164.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 164.0 | nM | 6.79 | Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha | 20675132 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 730.0 | nM | 6.14 | Inhibition of 17-alpha-hydroxylase activity of rat testicular microsomal P450-17... | 20675132 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 1580.0 | nM | 5.8 | Inhibition of rat microsomal 17,20-lyase component of P450-17alpha | 16750362 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 1580.0 | nM | 5.8 | Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha | 19608417 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 10060.0 | nM | 5.0 | Inhibition of rat microsomal 17-alpha-hydroxylase component of P450-17alpha | 16750362 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 10060.0 | nM | 5.0 | Inhibition of 17-alpha-hydroxylase activity of rat testicular microsomal P450-17... | 19608417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19608417 | 10.1016/j.bmcl.2009.06.070 | Steroid 17-alpha-hydroxylase/17,20 lyase | 3 |
| 16750362 | 10.1016/j.bmcl.2006.05.070 | Steroid 17-alpha-hydroxylase/17,20 lyase | 2 |
| 20675132 | 10.1016/j.bmcl.2010.02.100 | Steroid 17-alpha-hydroxylase/17,20 lyase | 2 |
Data from ChEMBL 36 via Core Engine