Compound Detail
CHEMBL69141
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Basic Information
| ChEMBL ID | CHEMBL69141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCDCCJNIFUQTRB-KYNBSPCLSA-M |
| Parent Compound | CHEMBL1205224 |
| Active Moiety | CHEMBL1205224 |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
20
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.24
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Beta-lactamase CHEMBL2725 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Enterobacter cloacae CHEMBL349 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Beta-lactamase TEM CHEMBL2065 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 16.0 | hr | - |
| T1/2 | 384.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 50.0 | nM | 7.3 | Tested in vitro for the beta lactamase inhibition of Escherichia coli TEM | - |
| Beta-lactamase | IC50 | = | 300.0 | nM | 6.52 | Compound was evaluated for beta-lactamase inhibition activity of Enterobacter cl... | - |
| Enterobacter cloacae | IC50 | = | 300.0 | nM | 6.52 | Tested in vitro for the beta lactamase inhibition of Enterobacter cloacae | - |
| Beta-lactamase TEM | IC50 | = | 50000.0 | nM | 4.3 | Compound was evaluated for beta-lactamase inhibition activity of Escherichia col... | - |
Literature References
Data from ChEMBL 36 via Core Engine