Compound Detail
CHEMBL301851
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Basic Information
| ChEMBL ID | CHEMBL301851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUCYCQQBWVJPPA-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
2.98
ALogP
6
HBA
3
HBD
95.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2095182 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| DNA topoisomerase II CHEMBL2094255 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 4000.0 | nM | 5.4 | In vitro inhibition of mammalian tubulin polymerization by 50% | 9599244 |
| DNA topoisomerase II | IC50 | = | 38000.0 | nM | 4.42 | In vitro activity against mammalian topoisomerase II measured as ATP-dependent u... | 9599244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599244 | 10.1021/jm980007f | DNA topoisomerase II | 1 |
| 9599244 | 10.1021/jm980007f | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine