Compound Detail
CHEMBL545725
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Basic Information
| ChEMBL ID | CHEMBL545725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAZDZSUSEBPBSN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194197 |
| Active Moiety | CHEMBL1194197 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
-0.53
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 4800.0 | nM | 5.32 | Affinity for muscarinic receptor in rat brain was measured by inhibition of [3H]... | 8064804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064804 | 10.1021/jm00043a016 | Muscarinic acetylcholine receptor | 1 |
| 8064804 | 10.1021/jm00043a016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine