Compound Detail
CHEMBL448100
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Basic Information
| ChEMBL ID | CHEMBL448100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEHGYASAJFBRCV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
2.81
ALogP
6
HBA
2
HBD
77.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 72000.0 | nM | 4.14 | Inhibitory activity of HaCaT keratinocyte cell line | 7990108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990108 | 10.1021/jm00050a005 | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine