Compound Detail
CHEMBL60552
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 | CHEMBL60552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLWMZZCKQNRHOX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.8
MW (Da)
3.16
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.16 | 5.99 | 700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 700.0 | nM | 6.16 | Inhibitory concentration against Murine Lewis lung carcinoma (LLC) cell prolifer... | 9207945 |
| NON-PROTEIN TARGET | IC50 | = | 980.0 | nM | 6.01 | Inhibitory concentration against Human Jurkat leukemia (JLC) cell proliferation | 9207945 |
| NON-PROTEIN TARGET | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory concentration to reduce cell number to 50% of Murine P388 leukemia ce... | 9207945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9207945 | 10.1021/jm970044r | NON-PROTEIN TARGET | 3 |
| 9207945 | 10.1021/jm970044r | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine