Compound Detail
CHEMBL75803
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Basic Information
| ChEMBL ID | CHEMBL75803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKDTZQRLZNSPGZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179449 |
| Active Moiety | CHEMBL1179449 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
3.78
ALogP
0
HBA
2
HBD
35.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.33 | 5.33 | 4660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 4660.0 | nM | 5.33 | In vitro inhibition of 3[H]Diazepam binding to Benzodiazepine receptor from rat ... | 2167977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2167977 | 10.1021/jm00171a007 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine