Compound Detail
CHEMBL2163638
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Basic Information
| ChEMBL ID | CHEMBL2163638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFVWNWUBYUMAPA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
2.96
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 1.4 | nM | 8.85 | Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycortic... | 22788843 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 3.8 | nM | 8.42 | Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycortic... | 22788843 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 1550.0 | nM | 5.81 | Inhibition of human CYP17 expressed in Escherichia coli using progesterone subst... | 22788843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22788843 | 10.1021/jm3003872 | Unchecked | 3 |
| 22788843 | 10.1021/jm3003872 | Aromatase | 1 |
| 22788843 | 10.1021/jm3003872 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 22788843 | 10.1021/jm3003872 | Cytochrome P450 11B2, mitochondrial | 1 |
| 22788843 | 10.1021/jm3003872 | Cytochrome P450 11B1, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine