Compound Detail
CHEMBL3263615
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3263615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGSYKJIWHRFWAL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
2.61
ALogP
8
HBA
2
HBD
107.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit B CHEMBL3085613 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit B | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as i... | 24088190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24088190 | 10.1021/jm401268f | DNA gyrase subunit B | 1 |
| 24088190 | 10.1021/jm401268f | Mycobacterium tuberculosis | 1 |
| 24088190 | 10.1021/jm401268f | No relevant target | 1 |
| 24088190 | 10.1021/jm401268f | Plasma | 1 |
Data from ChEMBL 36 via Core Engine