Compound Detail
CHEMBL5555622
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Basic Information
| ChEMBL ID | CHEMBL5555622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVACLXMJGMWYCK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
2.73
ALogP
2
HBA
2
HBD
29.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of NDM1 (unknown origin) | 38242072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38242072 | 10.1016/j.ejmech.2024.116140 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine