Compound Detail
CHEMBL2031563
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Basic Information
| ChEMBL ID | CHEMBL2031563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGMSKMVKZURFLF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
2.13
ALogP
5
HBA
3
HBD
112.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 67.61 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2700.0 | nM | 5.57 | Inhibition of beta-lactamase CTX-M using nitrocefin as substrate | 22296601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22296601 | 10.1021/jm2014138 | Unchecked | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine