Compound Detail
CHEMBL3952656
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Basic Information
| ChEMBL ID | CHEMBL3952656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUKZXMPCMJZDQU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
275.8
MW (Da)
3.71
ALogP
4
HBA
0
HBD
30.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 6.38 | 6.38 | 416.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 73.0 | nM | 7.14 | Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 416.0 | nM | 6.38 | Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 416.0 | nM | 6.38 | Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... | - |
Data from ChEMBL 36 via Core Engine