Compound Detail
CHEMBL5542695
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
Basic Information
| ChEMBL ID | CHEMBL5542695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBXWHODMWKJRIF-NXEZZACHSA-N |
2
Targets
5
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
2.25
ALogP
4
HBA
2
HBD
15.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.21 | 5.8725 | 620.0 | 4 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.45 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 620.0 | nM | 6.21 | Inhibition of his6-tagged L1 (unknown origin) expressed in Escherichia coli BL21... | 38373290 |
| Metallo-beta-lactamase type 2 | IC50 | = | 770.0 | nM | 6.11 | Inhibition of his6-tagged NDM-1 (unknown origin) expressed in Escherichia coli B... | 38373290 |
| Unchecked | IC50 | = | 1010.0 | nM | 6.0 | Inhibition of his6-tagged IMP-1 (unknown origin) expressed in Escherichia coli B... | 38373290 |
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of his6-tagged VIM-2 (unknown origin) expressed in Escherichia coli B... | 38373290 |
| Unchecked | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of his6-tagged SFH-1 (unknown origin) expressed in Escherichia coli B... | 38373290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38373290 | 10.1021/acs.jmedchem.3c02209 | Unchecked | 4 |
| 38373290 | 10.1021/acs.jmedchem.3c02209 | Metallo-beta-lactamase type 2 | 2 |
| 38373290 | 10.1021/acs.jmedchem.3c02209 | L929 | 1 |
| 38373290 | 10.1021/acs.jmedchem.3c02209 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine