Compound Detail
CHEMBL60971
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Basic Information
| ChEMBL ID | CHEMBL60971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOBDAXIUTBQUGZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
332.2
MW (Da)
2.70
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.52 | 5.52 | 3000.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3019.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory concentration against specific binding of [3H]diazepam to Benzodiazep... | 2163452 |
| GABA-A receptor; anion channel | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of specific binding of 1.5 nM [3H]diazepam to rat brain benzodiazepin... | 1967311 |
| Unchecked | IC50 | = | 3019.95 | nM | 5.52 | Displacement of [3H]diazepam from benzodiazepine receptor in rat brain | 18346822 |
| GABA-A receptor; anion channel | IC50 | = | 3019.95 | nM | 5.52 | Binding affinity to Rattus norvegicus (rat) brain GABA-A receptor benzodiazepine... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2163452 | 10.1021/jm00169a013 | GABA-A receptor; anion channel | 1 |
| 1967311 | 10.1021/jm00163a032 | GABA-A receptor; anion channel | 1 |
| 18346822 | 10.1016/j.ejmech.2008.01.030 | Unchecked | 1 |
| - | 10.1007/s00044-008-9111-6 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine