Compound Detail
CHEMBL167690
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Basic Information
| ChEMBL ID | CHEMBL167690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCTJSCHQMCXTLO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
625.0
MW (Da)
8.39
ALogP
6
HBA
4
HBD
66.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
32
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 7.43 | 7.43 | 37.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.64 | 5.64 | 2290.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 37.15 | nM | 7.43 | Antagonist potency against carbachol induced inhibition of electrically stimulat... | 2909747 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 2290.87 | nM | 5.64 | Antagonist potency against carbachol induced contractions of isolated guinea pig... | 2909747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2909747 | 10.1021/jm00121a017 | Muscarinic acetylcholine receptor M2 | 1 |
| 2909747 | 10.1021/jm00121a017 | Muscarinic acetylcholine receptor M3 | 1 |
| 2909747 | 10.1021/jm00121a017 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
Data from ChEMBL 36 via Core Engine