Compound Detail
CHEMBL53073
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Basic Information
| ChEMBL ID | CHEMBL53073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFOCGYVTAOKAJ-VIFPVBQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
1.20
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | Ki | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | Ki | = | 92000.0 | nM | 4.04 | Displacement of [3H]CGP54626 from GABA-B receptor (unknown origin) by radioligan... | 25856547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1652022 | 10.1021/jm00112a033 | GABA B receptor | 1 |
| 11356116 | 10.1021/jm0100133 | Unchecked | 1 |
| 25856547 | 10.1021/jm5018913 | GABA-B receptor | 1 |
Data from ChEMBL 36 via Core Engine