Compound Detail
CHEMBL542561
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Basic Information
| ChEMBL ID | CHEMBL542561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGSNZOYXRJRPFN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191457 |
| Active Moiety | CHEMBL1191457 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
-1.30
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 31000.0 | nM | 4.51 | Affinity for muscarinic receptor in rat brain was measured by inhibition of [3H]... | 8064804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111297 | 10.1021/jm960467d | Muscarinic acetylcholine receptor M1 | 2 |
| 8064804 | 10.1021/jm00043a016 | Muscarinic acetylcholine receptor | 1 |
| 8064804 | 10.1021/jm00043a016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine