Compound Detail
CHEMBL362441
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Basic Information
| ChEMBL ID | CHEMBL362441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQNGIUYGZIBMCS-GXDHUFHOSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.97
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.04 | 6.04 | 903.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 5.95 | 5.95 | 1130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 57.0 | nM | 7.24 | In vitro inhibitory concentration against human CYP11B2 expressed in V79MZh hams... | 15743198 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 903.0 | nM | 6.04 | In vitro inhibitory concentration against human CYP11B1 expressed in V79 MZh ham... | 15743198 |
| Aromatase | IC50 | = | 1130.0 | nM | 5.95 | In vitro inhibitory concentration against human placental CYP19 incubated with 5... | 15743198 |
| Aromatase | IC50 | = | 1130.0 | nM | 5.95 | Inhibition of aromatase | 20638757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743198 | 10.1021/jm0492397 | Cytochrome P450 11B2, mitochondrial | 2 |
| 20638757 | 10.1016/j.ejmech.2010.06.033 | Aromatase | 2 |
| 15743198 | 10.1021/jm0492397 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 15743198 | 10.1021/jm0492397 | Cytochrome P450 11B1, mitochondrial | 1 |
| 15743198 | 10.1021/jm0492397 | Aromatase | 1 |
| 15743198 | 10.1021/jm0492397 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine