Compound Detail
CHEMBL335455
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Basic Information
| ChEMBL ID | CHEMBL335455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGIXZILUSHAOJP-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.8
MW (Da)
2.55
ALogP
8
HBA
1
HBD
99.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase 1 CHEMBL1781 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of topoisomerase I activity was determined in vitro by using the clea... | 7853331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7853331 | 10.1021/jm00003a001 | DNA topoisomerase 1 | 1 |
Data from ChEMBL 36 via Core Engine