Compound Detail
CHEMBL3287172
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Basic Information
| ChEMBL ID | CHEMBL3287172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMIJFOOJOHAHDI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
3.29
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 5.39 | 5.39 | 4100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycortico... | 24899257 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of human CYP11B1 expressed in hamster fibroblasts using deoxycorticos... | 31257085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24899257 | 10.1021/jm500140c | Cytochrome P450 11B2, mitochondrial | 2 |
| 24899257 | 10.1021/jm500140c | Cytochrome P450 11B1, mitochondrial | 2 |
| 31257085 | 10.1016/j.bmcl.2019.06.040 | Cytochrome P450 11B2, mitochondrial | 2 |
| 31257085 | 10.1016/j.bmcl.2019.06.040 | Cytochrome P450 11B1, mitochondrial | 2 |
| 24899257 | 10.1021/jm500140c | Unchecked | 1 |
| 31257085 | 10.1016/j.bmcl.2019.06.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine