Compound Detail
CHEMBL213596
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Basic Information
| ChEMBL ID | CHEMBL213596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XITLEILYHLIBPC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.2
MW (Da)
3.97
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 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL4430 | IC50 | 4.71 | 4.71 | 19460.0 | 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 | = | 19460.0 | nM | 4.71 | Inhibition of rat microsomal 17,20-lyase 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 |
Data from ChEMBL 36 via Core Engine