Compound Detail
CHEMBL171531
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Basic Information
| ChEMBL ID | CHEMBL171531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWASGDJOVNIDEM-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
1.79
ALogP
3
HBA
1
HBD
58.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of [3H]flunitrazepam binding to GABA-A benzodiazepine receptor of gui... | 2848124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80682-4 | Gastrin/cholecystokinin type B receptor | 2 |
| - | 10.1016/S0960-894X(00)80682-4 | Cholecystokinin receptor type A | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor type A | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor | 1 |
| 2848124 | 10.1021/jm00120a002 | Gastrin/cholecystokinin type B receptor | 1 |
| 2848124 | 10.1021/jm00120a002 | GABA-A receptor; anion channel | 1 |
| 2848124 | 10.1021/jm00120a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine