Compound Detail
CHEMBL5411496
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Basic Information
| ChEMBL ID | CHEMBL5411496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQAQGEXWTJPBJS-XBXARRHUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.15
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 70.03 | nM | 7.16 | Inhibition of CYP3A4 in human liver microsomes | 37549850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37549850 | 10.1016/j.bmcl.2023.129435 | Cytochrome P450 3A4 | 2 |
Data from ChEMBL 36 via Core Engine