Compound Detail
CHEMBL135351
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Basic Information
| ChEMBL ID | CHEMBL135351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACDJOQACBODKNC-XKZIYDEJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.5
MW (Da)
4.90
ALogP
3
HBA
1
HBD
49.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 7.0 | 7.0 | 100.0 | 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 | = | 100.0 | nM | 7.0 | Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme us... | 11063622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063622 | 10.1021/jm001008m | Steroid 17-alpha-hydroxylase/17,20 lyase | 2 |
| 11063622 | 10.1021/jm001008m | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 11063622 | 10.1021/jm001008m | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine