Compound Detail
CHEMBL45788
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Basic Information
| ChEMBL ID | CHEMBL45788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKOYGPHBEKVKNX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
5.31
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Displacement of 3[H]Flunitrazepam from GABA-A central benzodiazepine receptor of... | 2821257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2821257 | 10.1021/jm00393a009 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine