Compound Detail
CHEMBL4286761
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Basic Information
| ChEMBL ID | CHEMBL4286761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOERNEWHDHHREB-RZFKFIIISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.0
MW (Da)
3.86
ALogP
7
HBA
0
HBD
58.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Steroid 21-hydroxylase CHEMBL2759 | IC50 | 6.02 | 6.02 | 960.0 | 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 | = | 260.0 | nM | 6.58 | Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells ... | - |
| Steroid 21-hydroxylase | IC50 | = | 960.0 | nM | 6.02 | Inhibition of recombinant CYP21 (unknown origin) expressed in human AD293 cells ... | - |
Data from ChEMBL 36 via Core Engine