Compound Detail
CHEMBL113086
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Basic Information
| ChEMBL ID | CHEMBL113086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLPQYBREVOHZTO-WUXMJOGZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
0.71
ALogP
4
HBA
2
HBD
62.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.59 | 4.59 | 25900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 25900.0 | nM | 4.59 | Antitumor activity against human K562 cells assessed as induction of cell death ... | 19369075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21391686 | 10.1021/jm101532u | DNA topoisomerase 2-alpha | 2 |
| 1354751 | 10.1021/jm00095a027 | HuT78 | 1 |
| 1354751 | 10.1021/jm00095a027 | MT4 | 1 |
| 19369075 | 10.1016/j.bmcl.2009.03.135 | K562 | 1 |
| 19369075 | 10.1016/j.bmcl.2009.03.135 | Bel-7402 | 1 |
| 21391686 | 10.1021/jm101532u | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine