Compound Detail
CHEMBL3747584
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3747584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYMBIOMXTNJALB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
3.55
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 8.85 | 8.45 | 1.4 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.08333 | hr | Rattus norvegicus |
| T1/2 | 0.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 1.4 | nM | 8.85 | Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrat... | 26540564 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 9.0 | nM | 8.05 | 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 | Liver microsome | 2 |
| 26540564 | 10.1021/acs.jmedchem.5b01545 | Unchecked | 1 |
| 26540564 | 10.1021/acs.jmedchem.5b01545 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine