Compound Detail
CHEMBL4072446
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 | CHEMBL4072446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRAOESAINDQEIG-UUOLGLRASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.5
MW (Da)
5.02
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keratinocyte CHEMBL613995 | IC50 | 5.54 | 5.295 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keratinocyte | IC50 | = | 2900.0 | nM | 5.54 | Antiinflammatory activity in primary human endothelial keratinocytes assessed as... | 28558967 |
| Keratinocyte | IC50 | = | 9000.0 | nM | 5.05 | Cytotoxicity against primary human endothelial keratinocytes assessed as inhibit... | 28558967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28558967 | 10.1016/j.bmcl.2017.05.021 | Keratinocyte | 4 |
| 28558967 | 10.1016/j.bmcl.2017.05.021 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine