Compound Detail
CHEMBL536249
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Basic Information
| ChEMBL ID | CHEMBL536249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMQZGYINVQBMIO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188365 |
| Active Moiety | CHEMBL1188365 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
0.98
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of [3H](R)-QNB binding to muscarinic receptor in rat brain membranes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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