Compound Detail
CHEMBL129511
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Basic Information
| ChEMBL ID | CHEMBL129511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKBDNJRYPXHSPE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
4.97
ALogP
3
HBA
0
HBD
37.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 7.77 | 7.705 | 17.0 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 21.18 | nM | Rattus norvegicus |
| Cmax | 31.09 | nM | Rattus norvegicus |
| Cmax | 12.1 | nM | Rattus norvegicus |
| Cmax | 13.2 | nM | Rattus norvegicus |
| Cmax | 899.56 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 16.98 | nM | 7.77 | Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... | 10508441 |
| Translocator protein | IC50 | = | 22.91 | nM | 7.64 | Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... | 10508441 |
| GABA-A receptor; anion channel | IC50 | = | 501.19 | nM | 6.3 | Affinity benzodiazepine receptor as ability to displace [3H]flunitrazepam from b... | 10508441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10508441 | 10.1021/jm991035g | Rattus norvegicus | 8 |
| 10508441 | 10.1021/jm991035g | GABA-A receptor; alpha-1/beta-2/gamma-2 | 3 |
| 10508441 | 10.1021/jm991035g | Translocator protein | 2 |
| 10508441 | 10.1021/jm991035g | GABA-A receptor; anion channel | 1 |
| 10508441 | 10.1021/jm991035g | No relevant target | 1 |
| 10508441 | 10.1021/jm991035g | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine