Compound Detail
CHEMBL1444873
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Basic Information
| ChEMBL ID | CHEMBL1444873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFLCBIQQTOCIHZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
242.7
MW (Da)
3.74
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.2 | 6.2 | 635.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 107.0 | nM | 6.97 | Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorti... | 24900247 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 635.0 | nM | 6.2 | Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorti... | 24900247 |
| Unchecked | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of N-terminus His-tagged Francisella tularensis subsp. Tularensis Sch... | 22098466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22098466 | 10.1021/jm201168g | Unchecked | 2 |
| 24900247 | 10.1021/ml100071j | Unchecked | 1 |
| 24900247 | 10.1021/ml100071j | Cytochrome P450 11B2, mitochondrial | 1 |
| 24900247 | 10.1021/ml100071j | Cytochrome P450 11B1, mitochondrial | 1 |
| 24900247 | 10.1021/ml100071j | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 24900247 | 10.1021/ml100071j | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine