Compound Detail
CHEMBL522081
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OC(c1ccc(F)cc1)(c1ccc(F)cc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]
Basic Information
| ChEMBL ID | CHEMBL522081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POQXKEIISDGWLM-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1187807 |
| Active Moiety | CHEMBL1187807 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
5.42
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Kd | 10.2 | 10.2 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Kd | = | 0.0631 | nM | 10.2 | Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cell... | 19317446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19317446 | 10.1021/jm801601v | Muscarinic acetylcholine receptor M3 | 2 |
Data from ChEMBL 36 via Core Engine