Compound Detail
CHEMBL5630973
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Basic Information
| ChEMBL ID | CHEMBL5630973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMEAFOLWTYNPSY-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
2.19
ALogP
5
HBA
3
HBD
114.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.1725 | 2280.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2280.0 | nM | 5.64 | Inhibition of recombinant VIM-5 (unknown origin) expressed in Escherichia coli (... | 37209449 |
| Unchecked | IC50 | = | 2480.0 | nM | 5.61 | Inhibition of recombinant his tagged VIM-2 (unknown origin) expressed in Escheri... | 37209449 |
| Unchecked | IC50 | = | 16580.0 | nM | 4.78 | Inhibition of recombinant NDM1 (unknown origin) expressed in Escherichia coli (D... | 37209449 |
| Unchecked | IC50 | = | 22130.0 | nM | 4.66 | Inhibition of recombinant VIM-1 (unknown origin) expressed in Escherichia coli (... | 37209449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37209449 | 10.1016/j.ejmech.2023.115473 | Unchecked | 5 |
Data from ChEMBL 36 via Core Engine