Compound Detail
CHEMBL501446
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Basic Information
| ChEMBL ID | CHEMBL501446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBLFYGYIBIIOER-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
5.25
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 5.89 | 5.89 | 1300.0 | 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 | = | 1300.0 | nM | 5.89 | Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochr... | 18674917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18674917 | 10.1016/j.bmc.2008.07.011 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 18674917 | 10.1016/j.bmc.2008.07.011 | Cytochrome P450 2D6 | 1 |
| 18674917 | 10.1016/j.bmc.2008.07.011 | Cytochrome P450 2B6 | 1 |
| 18674917 | 10.1016/j.bmc.2008.07.011 | Cytochrome P450 3A4 | 1 |
| 18674917 | 10.1016/j.bmc.2008.07.011 | Cytochrome P450 1A2 | 1 |
Data from ChEMBL 36 via Core Engine