Compound Detail
CHEMBL125821
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Basic Information
| ChEMBL ID | CHEMBL125821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIRLVMGFUKGJPT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
263.1
MW (Da)
4.13
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
EC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 5.68 | 5.68 | 2100.0 | 2 |
| Radical scavenging activity CHEMBL613712 | EC50 | 4.53 | 4.53 | 29500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 2100.0 | nM | 5.68 | Antiproliferative (inhibition of cell growth) activity against HaCaT cells (huma... | 9371243 |
| HaCaT | IC50 | = | 2100.0 | nM | 5.68 | Antiproliferative activity against human HaCaT cells after 48 hrs by phase contr... | 20828887 |
| Radical scavenging activity | EC50 | = | 29500.0 | nM | 4.53 | Antioxidant activity assessed as DPPH free radical scavenging activity by spectr... | 20828887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9371243 | 10.1021/jm970292n | Molecular identity unknown | 2 |
| 20828887 | 10.1016/j.ejmech.2010.08.047 | HaCaT | 2 |
| 9371243 | 10.1021/jm970292n | No relevant target | 1 |
| 9371243 | 10.1021/jm970292n | HaCaT | 1 |
| 20828887 | 10.1016/j.ejmech.2010.08.047 | Radical scavenging activity | 1 |
| 26515039 | 10.1016/j.bmc.2015.10.022 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine