Compound Detail
CHEMBL4099464
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Basic Information
| ChEMBL ID | CHEMBL4099464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHMHHCINHKQFQY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
5.03
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL4430 | IC50 | 6.01 | 6.01 | 979.8 | 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 | = | 979.8 | nM | 6.01 | Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydro... | 28350999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28350999 | 10.1016/j.ejmech.2017.03.037 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
Data from ChEMBL 36 via Core Engine