Compound Detail
CHEMBL3746924
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Basic Information
| ChEMBL ID | CHEMBL3746924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEOQZKGIYGRWJF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.87
ALogP
5
HBA
1
HBD
87.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 380.0 | nM | 6.42 | Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiot... | 26540564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26540564 | 10.1021/acs.jmedchem.5b01545 | Cytochrome P450 11B2, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine