Compound Detail
CHEMBL195571
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Basic Information
| ChEMBL ID | CHEMBL195571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDXMZUQFVFTPDO-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
3.61
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.64 | 7.64 | 23.0 | 3 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.15 | 5.86 | 715.0 | 2 |
| Aromatase CHEMBL1978 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 23.0 | nM | 7.64 | Inhibitory concentration against human cytochrome P450 11B2 expressed in fission... | 16220979 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 23.0 | nM | 7.64 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 23.0 | nM | 7.64 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 715.0 | nM | 6.15 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 2671.0 | nM | 5.57 | Inhibitory concentration against human cytochrome P450 11B1 expressed in fission... | 16220979 |
| Aromatase | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of aromatase | 18357974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220979 | 10.1021/jm0503704 | Cytochrome P450 11B2, mitochondrial | 2 |
| 18324762 | 10.1021/jm701447v | 17-beta-hydroxysteroid dehydrogenase type 1 | 2 |
| 16220979 | 10.1021/jm0503704 | Cytochrome P450 11B1, mitochondrial | 1 |
| 16220979 | 10.1021/jm0503704 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 16220979 | 10.1021/jm0503704 | Aromatase | 1 |
| 16220979 | 10.1021/jm0503704 | Unchecked | 1 |
| 16220979 | 10.1021/jm0503704 | No relevant target | 1 |
| 16220979 | 10.1021/jm0503704 | Caco-2 | 1 |
| 18357974 | 10.1021/jm701314u | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine