Compound Detail
CHEMBL379436
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Basic Information
| ChEMBL ID | CHEMBL379436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYZFQKPOALRPNQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
227.1
MW (Da)
3.24
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 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL4430 | IC50 | 5.68 | 5.295 | 2070.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 2070.0 | nM | 5.68 | Inhibition of rat microsomal 17,20-lyase component of P450-17alpha | 16750362 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 12220.0 | nM | 4.91 | Inhibition of rat microsomal 17-alpha-hydroxylase component of P450-17alpha | 16750362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16750362 | 10.1016/j.bmcl.2006.05.070 | Steroid 17-alpha-hydroxylase/17,20 lyase | 2 |
| 19272678 | 10.1016/j.ejmech.2009.02.013 | Mycobacterium tuberculosis | 2 |
Data from ChEMBL 36 via Core Engine