Compound Detail
CHEMBL507986
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Basic Information
| ChEMBL ID | CHEMBL507986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTHKAYIQGRORJA-MDWZMJQESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
1.29
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-N-MC CHEMBL614163 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| DNA topoisomerase 2-alpha CHEMBL1806 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTT assay | 19216562 |
| DNA topoisomerase 2-alpha | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pHO... | 21391686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19216562 | 10.1021/jm801585u | SK-N-MC | 2 |
| 19216562 | 10.1021/jm801585u | Serotransferrin | 2 |
| 21391686 | 10.1021/jm101532u | DNA topoisomerase 2-alpha | 2 |
| 19216562 | 10.1021/jm801585u | No relevant target | 1 |
| 20163897 | 10.1016/j.ejmech.2010.01.028 | Mycobacterium tuberculosis | 1 |
| 20163897 | 10.1016/j.ejmech.2010.01.028 | J774 | 1 |
| 20163897 | 10.1016/j.ejmech.2010.01.028 | Unchecked | 1 |
| 21391686 | 10.1021/jm101532u | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine