Compound Detail
CHEMBL205782
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 | CHEMBL205782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNEAKBWZBQOQDH-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
3.18
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.89 | 7.8767 | 13.0 | 3 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.06 | 5.84 | 862.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human CYP11B2 expressed in V79 11B2 cells | 16570918 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 13.5 | nM | 7.87 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 13.5 | nM | 7.87 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 862.0 | nM | 6.06 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 2391.0 | nM | 5.62 | Inhibition of human CYP11B1 expressed in V79 11B1 cells | 16570918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16570918 | 10.1021/jm060055x | Cytochrome P450 11B2, mitochondrial | 2 |
| 16570918 | 10.1021/jm060055x | Cytochrome P450 11B1, mitochondrial | 1 |
| 16570918 | 10.1021/jm060055x | Aromatase | 1 |
| 16570918 | 10.1021/jm060055x | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 16570918 | 10.1021/jm060055x | Unchecked | 1 |
| 16570918 | 10.1021/jm060055x | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine