Compound Detail
CHEMBL3313980
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Basic Information
| ChEMBL ID | CHEMBL3313980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRZZFUDORMLHAC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
189.3
MW (Da)
3.91
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human aldosterone synthase expressed in V79 MZ cells | 24422519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24422519 | 10.1021/jm401430e | Cytochrome P450 1A2 | 1 |
| 24422519 | 10.1021/jm401430e | Unchecked | 1 |
| 24422519 | 10.1021/jm401430e | Cytochrome P450 11B2, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine