Compound Detail
CHEMBL5561884
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CC(=O)NC[C@H]1CN(c2ccc(OCC3(O)CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL5561884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEDRNPDLVCNIAV-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
626.6
MW (Da)
3.18
ALogP
9
HBA
3
HBD
150.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Clostridioides difficile CHEMBL614965 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Clostridioides difficile | IC50 | = | 950.0 | nM | 6.02 | Antibacterial activity against Clostridioides difficile assessed as inhibition o... | 38753983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38753983 | 10.1021/acs.jmedchem.4c00558 | Clostridioides difficile | 5 |
| 38753983 | 10.1021/acs.jmedchem.4c00558 | Enterococcus faecium | 2 |
| 38753983 | 10.1021/acs.jmedchem.4c00558 | Bacteroides thetaiotaomicron | 1 |
| 38753983 | 10.1021/acs.jmedchem.4c00558 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine