Compound Detail
CHEMBL5972697
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Basic Information
| ChEMBL ID | CHEMBL5972697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZJBSCRWRHBKRY-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
2.95
ALogP
5
HBA
1
HBD
87.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 9.3 | 9.22 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 0.499 | nM | 9.3 | Inhibition Assay: The expression plasmids contains the ORF for either human/cyno... | - |
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 0.723 | nM | 9.14 | Inhibition Assay: The expression plasmids contains the ORF for either human/cyno... | - |
Data from ChEMBL 36 via Core Engine