Compound Detail
CHEMBL489938
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Basic Information
| ChEMBL ID | CHEMBL489938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWILXHGVWJPXOC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
2.17
ALogP
4
HBA
3
HBD
91.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.56 | 4.56 | 27700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 27700.0 | nM | 4.56 | Cytotoxicity against human P-gp-negative KB-3-1 cells after 72 hrs by MTT assay | 19397322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19397322 | 10.1021/jm800861c | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine