Compound Detail
CHEMBL3950454
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Basic Information
| ChEMBL ID | CHEMBL3950454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBJHXDNSHCRCTC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
3.19
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 5.25 | 5.25 | 5684.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 4.0 | nM | 8.4 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 4.0 | nM | 8.4 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 5684.0 | nM | 5.25 | Inhibition Assay: V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) wer... | - |
Data from ChEMBL 36 via Core Engine