Compound Detail
CHEMBL2331703
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Basic Information
| ChEMBL ID | CHEMBL2331703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMTHHLLPARVMJH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
4.27
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 5.16 | 5.16 | 6930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 48.0 | nM | 7.32 | Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deo... | 24900679 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 6930.0 | nM | 5.16 | Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deo... | 24900679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900679 | 10.1021/ml4000589 | Cytochrome P450 11B1, mitochondrial | 1 |
| 24900679 | 10.1021/ml4000589 | Cytochrome P450 11B2, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine