Compound Detail
CHEMBL2181578
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Basic Information
| ChEMBL ID | CHEMBL2181578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOLYCIMBMMTGHJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
2.40
ALogP
5
HBA
0
HBD
66.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4.66 | nM | 8.33 | Displacement of [3H]Ro151788 from GABA(A)/BzR in bovine cerebral cortex membrane | 22094278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22094278 | 10.1016/j.bmc.2011.10.047 | Rattus norvegicus | 24 |
| 22094278 | 10.1016/j.bmc.2011.10.047 | Mus musculus | 11 |
| 22094278 | 10.1016/j.bmc.2011.10.047 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine