Compound Detail
CHEMBL402298
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Basic Information
| ChEMBL ID | CHEMBL402298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYYJAJLUYBIUOD-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.00
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.78 | 6.78 | 167.0 | 2 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 5.36 | 5.36 | 4391.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 167.0 | nM | 6.78 | Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deox... | 24900349 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 167.0 | nM | 6.78 | Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 4391.0 | nM | 5.36 | Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deox... | 24900349 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 4391.0 | nM | 5.36 | Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 4391.0 | nM | 5.36 | Cellular Inhibition Assay: V79MZ cells expressing human CYP11B1 and human CYP11B... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18061460 | 10.1016/j.bmc.2007.10.094 | Steroid 17-alpha-hydroxylase/17,20 lyase | 2 |
| 24900349 | 10.1021/ml100283h | Cytochrome P450 11B1, mitochondrial | 1 |
| 24900349 | 10.1021/ml100283h | Cytochrome P450 11B2, mitochondrial | 1 |
| 24900349 | 10.1021/ml100283h | Unchecked | 1 |
| 24900349 | 10.1021/ml100283h | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 24900349 | 10.1021/ml100283h | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine