Compound Detail
CHEMBL168786
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL168786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLSBKMJNAWVMIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
653.0
MW (Da)
9.17
ALogP
6
HBA
4
HBD
66.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
34
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 7.02 | 7.02 | 95.5 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.91 | 5.91 | 1230.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 95.5 | nM | 7.02 | Antagonist potency against carbachol induced inhibition of electrically stimulat... | 2909747 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 1230.27 | nM | 5.91 | 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