Compound Detail
CHEMBL405684
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Basic Information
| ChEMBL ID | CHEMBL405684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCAWPWXJHGVRBV-GFCCVEGCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.21
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.49 | 8.49 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.26 | nM | 8.49 | Displacement of [131I]IMTO from CYP450c 11 in Wistar rat adrenal membrane | 18348518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19497738 | 10.1016/j.bmcl.2009.05.065 | Unchecked | 2 |
| 18348518 | 10.1021/jm800012w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine