Compound Detail
CHEMBL286077
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Basic Information
| ChEMBL ID | CHEMBL286077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSZQTIFGANBTNF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
139.1
MW (Da)
-0.49
ALogP
2
HBA
3
HBD
83.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| GABA B receptor CHEMBL2111474 | IC50 | 5.7 | 5.435 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.4 | nM | 8.62 | Displacement of [3H]baclofen from GABA-B receptor in cat cerebellum | 25856547 |
| GABA B receptor | IC50 | = | 2000.0 | nM | 5.7 | In vitro displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor s... | - |
| GABA B receptor | IC50 | = | 6810.0 | nM | 5.17 | Inhibition of [3H]CGP-27492 binding to Gamma-aminobutyric acid type B receptor o... | 7650684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6325692 | 10.1021/jm00371a017 | Mus musculus | 6 |
| 25856547 | 10.1021/jm5018913 | Unchecked | 2 |
| 7650684 | 10.1021/jm00017a015 | GABA B receptor | 1 |
| - | 10.1016/S0960-894X(01)81218-X | GABA B receptor | 1 |
| 10780899 | 10.1021/jm9904349 | GABA-C receptor | 1 |
| 6325692 | 10.1021/jm00371a017 | GABA-A receptor; anion channel | 1 |
| 6325692 | 10.1021/jm00371a017 | GABA B receptor | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 36403421 | 10.1016/j.ejmech.2022.114935 | Phosphoserine phosphatase SerB2 | 1 |
Data from ChEMBL 36 via Core Engine