Compound Detail
CHEMBL1440486
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Basic Information
| ChEMBL ID | CHEMBL1440486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRLWEKCRDMFHQW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.33
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.09 | 6.09 | 816.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 816.0 | nM | 6.09 | Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deox... | 24900349 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 816.0 | nM | 6.09 | Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900349 | 10.1021/ml100283h | Cytochrome P450 11B1, mitochondrial | 1 |
| 24900349 | 10.1021/ml100283h | Cytochrome P450 11B2, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine