Compound Detail
CHEMBL521876
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Basic Information
| ChEMBL ID | CHEMBL521876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTJJRAWFHJBAMT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.2
MW (Da)
1.36
ALogP
7
HBA
5
HBD
144.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.21 | 4.21 | 61800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 30000.0 | nM | 4.52 | Cytotoxicity against human HCT 116 cells after 72 hrs | 16933884 |
| No relevant target | IC50 | = | 61800.0 | nM | 4.21 | Antiradical activity assessed as DPPH radical scavenging activity | 16933884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16933884 | 10.1021/np0600999 | Unchecked | 2 |
| 16933884 | 10.1021/np0600999 | No relevant target | 1 |
| 16933884 | 10.1021/np0600999 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine