Compound Detail
CHEMBL3344351
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 | CHEMBL3344351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXSFNCYTRBMMAZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
2.53
ALogP
6
HBA
0
HBD
72.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 830.0 | nM | 6.08 | Inhibition of Staphylococcus aureus FabI assessed as oxidation of NADH to NAD+ b... | 25306465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25306465 | 10.1016/j.bmc.2014.09.048 | Bacillus subtilis | 1 |
| 25306465 | 10.1016/j.bmc.2014.09.048 | Staphylococcus aureus | 1 |
| 25306465 | 10.1016/j.bmc.2014.09.048 | Escherichia coli | 1 |
| 25306465 | 10.1016/j.bmc.2014.09.048 | Pseudomonas aeruginosa | 1 |
| 25306465 | 10.1016/j.bmc.2014.09.048 | Unchecked | 1 |
| 25306465 | 10.1016/j.bmc.2014.09.048 | ADMET | 1 |
| 25306465 | 10.1016/j.bmc.2014.09.048 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine