Compound Detail
CHEMBL300465
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Basic Information
| ChEMBL ID | CHEMBL300465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUGFPABWAOETRO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.1
MW (Da)
2.24
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA topoisomerase 3 CHEMBL4320 | Ki | 5.33 | 5.1167 | 4698.9 | 3 |
| DNA polymerase III PolC-type CHEMBL3897 | Ki | 4.69 | 4.69 | 20400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA topoisomerase 3 | Ki | = | 4698.94 | nM | 5.33 | Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type). | 6420570 |
| DNA topoisomerase 3 | Ki | = | 4700.0 | nM | 5.33 | Inhibition against Bacillus subtilis DNA topoisomerase III (wild type) | 6767030 |
| DNA topoisomerase 3 | Ki | = | 20417.38 | nM | 4.69 | Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (muta... | 6420570 |
| DNA polymerase III PolC-type | Ki | = | 20400.0 | nM | 4.69 | In vitro inhibition of Bacillus subtilis DNA Polymerase III/azp-12(mutant). | 6767030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6420570 | 10.1021/jm00368a013 | DNA topoisomerase 3 | 2 |
| 6767030 | 10.1021/jm00175a007 | DNA polymerase III PolC-type | 2 |
| 6767030 | 10.1021/jm00175a007 | DNA topoisomerase 3 | 1 |
Data from ChEMBL 36 via Core Engine