Compound Detail
CHEMBL606647
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Basic Information
| ChEMBL ID | CHEMBL606647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIRLNZTUEPBPJA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
1.40
ALogP
6
HBA
0
HBD
99.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2026 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | - | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of hydrolysis of nitrocefin after 5 min pre-incubation with P99 beta-... | 15109638 |
| Unchecked | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of hydrolysis of nitrocefin after 5 min pre-incubation with TEM-1 bet... | 15109638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109638 | 10.1016/s0960-894x(04)00332-4 | ADMET | 1 |
| 15109638 | 10.1016/s0960-894x(04)00332-4 | Unchecked | 1 |
| 15109638 | 10.1016/s0960-894x(04)00332-4 | Beta-lactamase | 1 |
| 15109638 | 10.1016/s0960-894x(04)00332-4 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine