Compound Detail
CHEMBL3747503
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Basic Information
| ChEMBL ID | CHEMBL3747503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCNJEZSMUUVBPP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.9
MW (Da)
2.73
ALogP
5
HBA
1
HBD
76.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.66 | 7.215 | 22.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrat... | 26540564 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 169.0 | nM | 6.77 | Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiot... | 26540564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26540564 | 10.1021/acs.jmedchem.5b01545 | Cytochrome P450 11B2, mitochondrial | 2 |
| 26540564 | 10.1021/acs.jmedchem.5b01545 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine