Compound Detail
CHEMBL206550
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 | CHEMBL206550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARDWAGDGUKXSPH-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
3.81
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 8.3 | 8.3 | 5.0 | 3 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 6.3 | 6.3 | 503.0 | 2 |
| Aromatase CHEMBL1978 | IC50 | 5.75 | 5.75 | 1787.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human CYP11B2 expressed in V79 11B2 cells | 16570918 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 5.0 | nM | 8.3 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 5.0 | nM | 8.3 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 503.0 | nM | 6.3 | Inhibition of human CYP11B1 expressed in V79 11B1 cells | 16570918 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 503.0 | nM | 6.3 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Aromatase | IC50 | = | 1787.0 | nM | 5.75 | Inhibition of human placental CYP19 | 16570918 |
| Aromatase | IC50 | = | 1787.0 | nM | 5.75 | CYP19 Inhibition Assay: The enzyme was obtained from the microsome fraction of f... | - |
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