Compound Detail
CHEMBL544240
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Basic Information
| ChEMBL ID | CHEMBL544240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOCHXJVDFCQVBP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192919 |
| Active Moiety | CHEMBL1192919 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
-0.80
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.5 | 2000.0 | 2 |
| Cavia porcellus CHEMBL369 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Antagonistic activity was measured by the inhibition of Gamma-aminobutyric acid ... | - |
| Cavia porcellus | IC50 | = | 4500.0 | nM | 5.35 | Antagonistic activity was measured by the reversal inhibition of EFS stimulated ... | - |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | 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 | Cavia porcellus | 3 |
| - | 10.1016/S0960-894X(96)00267-3 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine