Compound Detail
CHEMBL1972187
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Basic Information
| ChEMBL ID | CHEMBL1972187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARLVFKCLBYUINL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
2.41
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 31000.0 | nM | 4.51 | Displacement of [3H]flunitrazepam from GABAA (unknown origin ) receptor by radio... | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33744443 | 10.1016/j.bmcl.2021.127952 | MCF7 | 1 |
| 33744443 | 10.1016/j.bmcl.2021.127952 | MDA-MB-231 | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine