Compound Detail
CHEMBL162496
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Basic Information
| ChEMBL ID | CHEMBL162496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYTDMONWVZXEMX-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
197.2
MW (Da)
2.11
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
| Aromatase CHEMBL1978 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.85 | 6.85 | 141.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human CYP11B2 expressed in chinese hamster V79 cells | 20121113 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 12.02 | nM | 7.92 | Inhibition of human CYP11B2 expressed in chinese hamster V79 cells | 20121113 |
| Aromatase | IC50 | = | 15.0 | nM | 7.82 | In vitro inhibition of cytochrome P450 19A1 | 1825337 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 141.0 | nM | 6.85 | Inhibition of human CYP11B1 expressed in chinese hamster V79 cells | 20121113 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 141.25 | nM | 6.85 | Inhibition of human CYP11B1 expressed in chinese hamster V79 cells | 20121113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20121113 | 10.1021/jm901356d | Cytochrome P450 11B1, mitochondrial | 2 |
| 20121113 | 10.1021/jm901356d | Cytochrome P450 11B2, mitochondrial | 2 |
| 1825337 | 10.1021/jm00106a038 | Aromatase | 1 |
| 20121113 | 10.1021/jm901356d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine