Compound Detail
CHEMBL519656
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Basic Information
| ChEMBL ID | CHEMBL519656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGKCEXFDBNQHOU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.8
MW (Da)
3.55
ALogP
4
HBA
0
HBD
47.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.34 | 6.5767 | 46.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 46.0 | nM | 7.34 | Displacement of [3H]flunitrazepam from GABAA benzodiazepine receptor in rat brai... | 18829330 |
| Unchecked | IC50 | = | 175.0 | nM | 6.76 | Displacement of [3H]flunitrazepam from GABAA benzodiazepine receptor in rat brai... | 18829330 |
| Unchecked | IC50 | = | 2320.0 | nM | 5.63 | Displacement of [3H]flunitrazepam from GABAA benzodiazepine receptor in rat brai... | 18829330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18829330 | 10.1016/j.bmc.2008.09.037 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine