Compound Detail
CHEMBL5408731
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Basic Information
| ChEMBL ID | CHEMBL5408731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRCSIMRRJCZCAZ-SCFUHWHPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
-0.37
ALogP
10
HBA
5
HBD
137.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of Clostridioides difficile-specific DNA adenine methyltransferase me... | 36581322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36581322 | 10.1021/acs.jmedchem.2c01789 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine