Compound Detail
CHEMBL1812147
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Basic Information
| ChEMBL ID | CHEMBL1812147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQCFDQZPRMILRT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
3.41
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.54 | 5.365 | 2880.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2880.0 | nM | 5.54 | Antitumor against human GLC82 cells assessed as cell survival after 48 hrs by MT... | 21600681 |
| NON-PROTEIN TARGET | IC50 | = | 6520.0 | nM | 5.19 | Antitumor against human CNE2 cells assessed as cell survival after 48 hrs by MTT... | 21600681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21600681 | 10.1016/j.ejmech.2011.04.059 | NON-PROTEIN TARGET | 2 |
| 21600681 | 10.1016/j.ejmech.2011.04.059 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine