Compound Detail
CHEMBL91040
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Basic Information
| ChEMBL ID | CHEMBL91040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVPJJYBJEHHYAA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
3.84
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094107 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration against [3H]flunitrazepam binding to Benzodiazepine rec... | 3005571 |
| GABA-A receptor; anion channel | IC50 | = | 1000.0 | nM | 6.0 | Affinity to displace [3H]flunitrazepam from Benzodiazepine receptor in bovine br... | 2167984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3005571 | 10.1021/jm00152a019 | GABA-A receptor; anion channel | 2 |
| 2167984 | 10.1021/jm00171a047 | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine