Compound Detail
CHEMBL5394552
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Basic Information
| ChEMBL ID | CHEMBL5394552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDBSDQVEWRJXFP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
5.28
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.60
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 6.21 | 6.21 | 623.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.04 | 6.04 | 912.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 623.0 | nM | 6.21 | Inhibition of human CYP11B2 stably transfected in mouse Y-1 cells using deoxycor... | 37804995 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 912.0 | nM | 6.04 | Inhibition of human CYP11B1 stably transfected in mouse Y-1 cells using deoxycor... | 37804995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37804995 | 10.1016/j.bmcl.2023.129501 | Cytochrome P450 11B1, mitochondrial | 1 |
| 37804995 | 10.1016/j.bmcl.2023.129501 | Cytochrome P450 11B2, mitochondrial | 1 |
| 37804995 | 10.1016/j.bmcl.2023.129501 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine