Compound Detail
CHEMBL5415158
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Basic Information
| ChEMBL ID | CHEMBL5415158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHGXHKIAJFIYCL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.39
ALogP
3
HBA
0
HBD
60.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.61 | 6.61 | 243.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 4.6 | nM | 8.34 | Inhibition of human CYP11B2 stably transfected in mouse Y-1 cells using deoxycor... | 37804995 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 243.0 | nM | 6.61 | 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