Compound Detail
CHEMBL3263619
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Basic Information
| ChEMBL ID | CHEMBL3263619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YESDQBAVYVXJQW-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
2.48
ALogP
9
HBA
2
HBD
116.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase subunit B CHEMBL3085613 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase subunit B | IC50 | = | 2.5 | nM | 8.6 | Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as i... | 24088190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24088190 | 10.1021/jm401268f | Mycobacterium tuberculosis | 5 |
| 24088190 | 10.1021/jm401268f | DNA gyrase subunit B | 1 |
| 24088190 | 10.1021/jm401268f | No relevant target | 1 |
| 24088190 | 10.1021/jm401268f | Plasma | 1 |
Data from ChEMBL 36 via Core Engine