Compound Detail
CHEMBL3286405
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Basic Information
| ChEMBL ID | CHEMBL3286405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIQXRCAYJBPXCD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
3.96
ALogP
3
HBA
0
HBD
42.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 6.22 | 6.22 | 607.0 | 2 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 5.64 | 5.64 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 607.0 | nM | 6.22 | Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycortico... | 24899257 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 608.0 | nM | 6.22 | Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-... | 25176013 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycortico... | 24899257 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-... | 25176013 |
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 |
| 24899257 | 10.1021/jm500140c | Unchecked | 1 |
| 25176013 | 10.1021/jm501004t | Cytochrome P450 11B2, mitochondrial | 1 |
| 25176013 | 10.1021/jm501004t | Cytochrome P450 11B1, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine