Compound Detail
CHEMBL2165317
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2165317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKZQWDIOWQYOGL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.06
ALogP
3
HBA
0
HBD
42.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human CYP11B2 expressed in V79MZh cells using [14C]-11-deoxycortic... | 22861193 |
| Aromatase | IC50 | = | 48.0 | nM | 7.32 | Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendion... | 22861193 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 790.0 | nM | 6.1 | Inhibition of human CYP11B1 expressed in V79MZh cells using [14C]-11-deoxycortic... | 22861193 |
| Cytochrome P450 3A4 | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of hepatic CYP3A4 | 22861193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22861193 | 10.1021/jm3004637 | No relevant target | 1 |
| 22861193 | 10.1021/jm3004637 | Cytochrome P450 3A4 | 1 |
| 22861193 | 10.1021/jm3004637 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 22861193 | 10.1021/jm3004637 | Unchecked | 1 |
| 22861193 | 10.1021/jm3004637 | Cytochrome P450 11B1, mitochondrial | 1 |
| 22861193 | 10.1021/jm3004637 | Cytochrome P450 11B2, mitochondrial | 1 |
| 22861193 | 10.1021/jm3004637 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine