Compound Detail
CHEMBL36405
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Basic Information
| ChEMBL ID | CHEMBL36405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJQDOQLIFBCNNJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.80
ALogP
6
HBA
2
HBD
103.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 3100.0 | nM | 5.51 | Concentration required to reduce growth of human jurkat leukemia cells to 50% of... | 8182707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8182707 | 10.1021/jm00036a014 | Jurkat | 2 |
| 8182707 | 10.1021/jm00036a014 | Plasmodium falciparum | 1 |
| 8182707 | 10.1021/jm00036a014 | DNA topoisomerase II | 1 |
| 8182707 | 10.1021/jm00036a014 | DNA topoisomerase 2 | 1 |
Data from ChEMBL 36 via Core Engine