Compound Detail
CHEMBL2417638
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Basic Information
| ChEMBL ID | CHEMBL2417638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHRFGYWVBGCSDE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
2.83
ALogP
3
HBA
1
HBD
68.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.37 | 6.37 | 427.0 | 1 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 5.53 | 5.53 | 2924.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 427.0 | nM | 6.37 | Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-... | 23869452 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 2924.0 | nM | 5.53 | Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-... | 23869452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23869452 | 10.1021/jm400240r | Unchecked | 1 |
| 23869452 | 10.1021/jm400240r | Cytochrome P450 11B2, mitochondrial | 1 |
| 23869452 | 10.1021/jm400240r | Cytochrome P450 11B1, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine