Compound Detail
CHEMBL537928
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Basic Information
| ChEMBL ID | CHEMBL537928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRASTXMOVYTHPZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189024 |
| Active Moiety | CHEMBL1189024 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
170.2
MW (Da)
0.19
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.48 | 5.48 | 3300.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of specific [3H](R)-QNB binding to Muscarinic acetylcholine receptor ... | 9111297 |
| Muscarinic acetylcholine receptor | IC50 | = | 3300.0 | nM | 5.48 | Affinity for muscarinic receptor in rat brain was measured by inhibition of [3H]... | 8064804 |
| Muscarinic acetylcholine receptor | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of [3H](R)-QNB binding to muscarinic receptor in rat brain membranes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111297 | 10.1021/jm960467d | Unchecked | 1 |
| 9111297 | 10.1021/jm960467d | Rattus norvegicus | 1 |
| 8064804 | 10.1021/jm00043a016 | Muscarinic acetylcholine receptor | 1 |
| 8064804 | 10.1021/jm00043a016 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80531-4 | Muscarinic acetylcholine receptor | 1 |
| - | 10.1016/S0960-894X(00)80531-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine