Compound Detail
CHEMBL5287867
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 | CHEMBL5287867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYAPFWUJHNYJOH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
435.9
MW (Da)
5.05
ALogP
6
HBA
2
HBD
94.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL2094139 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.47 | 6.47 | 341.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA gyrase | IC50 | = | 4.91 | nM | 8.31 | Inhibition of Escherichia coli DNA gyrase | 35694689 |
| Unchecked | IC50 | = | 341.0 | nM | 6.47 | Inhibition of Escherichia coli topoisomerase 4 assessed as reduction in decatena... | 35694689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35694689 | 10.1039/d2md00076h | Aspergillus fumigatus | 2 |
| 35694689 | 10.1039/d2md00076h | Escherichia coli | 1 |
| 35694689 | 10.1039/d2md00076h | Klebsiella pneumoniae | 1 |
| 35694689 | 10.1039/d2md00076h | Penicillium italicum | 1 |
| 35694689 | 10.1039/d2md00076h | Staphylococcus epidermidis | 1 |
| 35694689 | 10.1039/d2md00076h | DNA gyrase | 1 |
| 35694689 | 10.1039/d2md00076h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine