Compound Detail
CHEMBL3309929
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Basic Information
| ChEMBL ID | CHEMBL3309929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INOUEKQTMWVXDO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
255.8
MW (Da)
3.81
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 31.0 | nM | 7.51 | Antiproliferative activity against human LS 174T cells after 4 days by Vi-Cell c... | 24930834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24930834 | 10.1016/j.bmcl.2014.04.113 | LS174T | 2 |
| 24930834 | 10.1016/j.bmcl.2014.04.113 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine