Compound Detail
CHEMBL5594758
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Basic Information
| ChEMBL ID | CHEMBL5594758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPZSWMNMZDOGSX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
2.88
ALogP
6
HBA
1
HBD
75.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Cytochrome P450 11B2, mitochondrial CHEMBL3621020 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 0.6 | nM | 9.22 | Inhibition of human CYP11B2 expressed in HEK293-A cells harboring FDXR/FDX using... | 38851000 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human CYP11B1 expressed in HEK293-A cells | 38851000 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 23.0 | nM | 7.64 | Inhibition of mouse CYP11B2 expressed in HEK293-A cells using deoxycorticosteron... | 38851000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38851000 | 10.1016/j.bmc.2024.117775 | Cytochrome P450 11B2, mitochondrial | 2 |
| 38851000 | 10.1016/j.bmc.2024.117775 | Cytochrome P450 11B1, mitochondrial | 1 |
| 38851000 | 10.1016/j.bmc.2024.117775 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine