Compound Detail
CHEMBL106237
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Basic Information
| ChEMBL ID | CHEMBL106237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBFAUVIWKUDMAF-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.10
ALogP
5
HBA
0
HBD
80.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 8.12 | 8.0533 | 7.6 | 3 |
| Translocator protein CHEMBL5742 | IC50 | 7.93 | 7.93 | 11.8 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.56 | 5.515 | 2740.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.56 | 5.56 | 2740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 7.586 | nM | 8.12 | Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... | 10508441 |
| Translocator protein | IC50 | = | 7.762 | nM | 8.11 | Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... | 10508441 |
| Translocator protein | IC50 | = | 11.8 | nM | 7.93 | Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor | 9301675 |
| Translocator protein | IC50 | = | 11.8 | nM | 7.93 | Inhibition of TSPO (unknown origin) | 31404862 |
| GABA-A receptor; anion channel | IC50 | = | 2740.0 | nM | 5.56 | Displacement of [3H]flunitrazepam from rat brain GABA-A Benzodiazepine receptor | 9301675 |
| Unchecked | IC50 | = | 2740.0 | nM | 5.56 | Inhibition of CBR (unknown origin) | 31404862 |
| GABA-A receptor; anion channel | IC50 | = | 3388.44 | nM | 5.47 | Affinity benzodiazepine receptor as ability to displace [3H]flunitrazepam from b... | 10508441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 9301675 | 10.1021/jm970112+ | GABA-A receptor; anion channel | 1 |
| 9301675 | 10.1021/jm970112+ | Translocator protein | 1 |
| 31404862 | 10.1016/j.ejmech.2019.111569 | Unchecked | 1 |
| 31404862 | 10.1016/j.ejmech.2019.111569 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine