Compound Detail
CHEMBL35987
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Basic Information
| ChEMBL ID | CHEMBL35987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVCKHIMQQQZTQJ-LWNVUIRWSA-M |
| Parent Compound | CHEMBL1204946 |
| Active Moiety | CHEMBL1204946 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
0.65
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase TEM CHEMBL2065 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Beta-lactamase CHEMBL2725 | IC50 | 6.44 | 5.855 | 361.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase TEM | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against beta-Lactamase enzyme derived from Escherichia coli ... | - |
| Beta-lactamase | IC50 | = | 361.0 | nM | 6.44 | Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloa... | - |
| Beta-lactamase | IC50 | = | 5415.0 | nM | 5.27 | Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloa... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00249-S | Beta-lactamase | 2 |
| - | 10.1016/0960-894X(95)00249-S | Beta-lactamase TEM | 1 |
Data from ChEMBL 36 via Core Engine