Compound Detail
CHEMBL4793489
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CC(=O)c1ccc(-c2cn(CCn3c([N+](=O)[O-])cnc3/C=C/c3ccco3)nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL4793489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PASKQGXQBYKSEI-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
3.72
ALogP
9
HBA
0
HBD
121.9
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 3.0 | nM | 8.52 | Antimicrobial activity against Giardia lamblia BRIS/87/HEPU/713 trophozoites mea... | 32869995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32869995 | 10.1021/acs.jmedchem.0c00910 | Giardia intestinalis | 1 |
| 32869995 | 10.1021/acs.jmedchem.0c00910 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine