Compound Detail
CHEMBL542594
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Basic Information
| ChEMBL ID | CHEMBL542594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCYYTLPETJYAIW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191488 |
| Active Moiety | CHEMBL1191488 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
-0.16
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.05 | 4.74 | 9000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Antagonistic activity was measured by the inhibition of Gamma-aminobutyric acid ... | - |
| Unchecked | IC50 | = | 37000.0 | nM | 4.43 | Antagonistic activity was measured by the inhibition of Gamma-aminobutyric acid ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00267-3 | Unchecked | 2 |
| - | 10.1016/S0960-894X(96)00267-3 | Cavia porcellus | 2 |
Data from ChEMBL 36 via Core Engine