Compound Detail
CHEMBL291885
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Basic Information
| ChEMBL ID | CHEMBL291885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWZKBLGDRHQYCD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.8
MW (Da)
3.47
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.85 | 5.6133 | 1400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory concentration against Murine Lewis lung carcinoma (LLC) cell prolifer... | 9207945 |
| NON-PROTEIN TARGET | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory concentration against Human Jurkat leukemia (JLC) cell proliferation | 9207945 |
| NON-PROTEIN TARGET | IC50 | = | 6800.0 | nM | 5.17 | 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