Compound Detail
CHEMBL1645363
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
CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](CNS(=O)(=O)C(F)(F)F)[C@H]2S1(=O)=O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL1645363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYGLMPMWCRWHRY-PKLNKYFDSA-M |
| Parent Compound | CHEMBL1741063 |
| Active Moiety | CHEMBL1741063 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
-1.13
ALogP
6
HBA
2
HBD
137.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.48 | 1800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of beta-lactamase PDC-3 | 21129961 |
| Unchecked | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of beta-lactamase TEM-1 | 21129961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21129961 | 10.1016/j.bmcl.2010.10.134 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine