Compound Detail
CHEMBL4792244
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Basic Information
| ChEMBL ID | CHEMBL4792244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYYKYNRWNVSARB-SSDOTTSWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
0.88
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of recombinant N-terminal His/MBP-tagged NDM-1 (unknown origin) expre... | 33302045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33302045 | 10.1016/j.bmc.2020.115902 | Unchecked | 3 |
| 33302045 | 10.1016/j.bmc.2020.115902 | Escherichia coli | 2 |
Data from ChEMBL 36 via Core Engine