Compound Detail
CHEMBL1277636
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 | CHEMBL1277636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQGYCDISSZSOOF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.2
MW (Da)
5.32
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.2
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | EC50 | 5.2 | 5.2 | 6300.0 | 1 |
| HaCaT CHEMBL614392 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | EC50 | = | 6300.0 | nM | 5.2 | Antioxidant activity assessed as DPPH free radical scavenging activity by spectr... | 20828887 |
| HaCaT | IC50 | = | 18000.0 | nM | 4.75 | Antiproliferative activity against human HaCaT cells after 48 hrs by phase contr... | 20828887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20828887 | 10.1016/j.ejmech.2010.08.047 | HaCaT | 2 |
| 20828887 | 10.1016/j.ejmech.2010.08.047 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine