Compound Detail
CHEMBL54049
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Basic Information
| ChEMBL ID | CHEMBL54049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGAYQDWZIPRBPF-UHFFFAOYSA-N |
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
180.2
MW (Da)
2.21
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109905 | 10.1021/jm010461a | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 12109905 | 10.1021/jm010461a | Xenopus laevis | 1 |
| 12109905 | 10.1021/jm010461a | No relevant target | 1 |
| 9599235 | 10.1021/jm970681h | GABA-A receptor; anion channel | 1 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
| 21189019 | 10.1021/jm101266s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | Lethal factor | 1 |
| 21189019 | 10.1021/jm101266s | Tyrosinase | 1 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine