Compound Detail
CHEMBL5561352
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Basic Information
| ChEMBL ID | CHEMBL5561352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEJQWEINVXTSHQ-ZJUUUORDSA-N |
2
Targets
5
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
241.4
MW (Da)
2.93
ALogP
4
HBA
1
HBD
3.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.2 | 6.57 | 63.0 | 4 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.617 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 63.0 | nM | 7.2 | Inhibition of his6-tagged VIM-2 (unknown origin) expressed in Escherichia coli B... | 38373290 |
| Unchecked | IC50 | = | 88.0 | nM | 7.06 | Inhibition of his6-tagged IMP-1 (unknown origin) expressed in Escherichia coli B... | 38373290 |
| Metallo-beta-lactamase type 2 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of his6-tagged NDM-1 (unknown origin) expressed in Escherichia coli B... | 38373290 |
| Unchecked | IC50 | = | 670.0 | nM | 6.17 | Inhibition of his6-tagged L1 (unknown origin) expressed in Escherichia coli BL21... | 38373290 |
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | 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 | Klebsiella pneumoniae | 6 |
| 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 | Enterobacter cloacae | 2 |
| 38373290 | 10.1021/acs.jmedchem.3c02209 | L929 | 1 |
| 38373290 | 10.1021/acs.jmedchem.3c02209 | ADMET | 1 |
| 38373290 | 10.1021/acs.jmedchem.3c02209 | Escherichia coli | 1 |
| 38373290 | 10.1021/acs.jmedchem.3c02209 | Providencia rettgeri | 1 |
Data from ChEMBL 36 via Core Engine