Compound Detail
CHEMBL1398637
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 | CHEMBL1398637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOOSGZJRQIVJSZ-GTPZEUEISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.70
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 9.89 | 9.89 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 9.37 | 9.37 | 0.4 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Ki | 9.19 | 9.19 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.13 | nM | 9.89 | Binding affinity towards rat Muscarinic acetylcholine receptor M1 was determined | 9016336 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.43 | nM | 9.37 | Binding affinity towards rat Muscarinic acetylcholine receptor M2 was determined | 9016336 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 0.65 | nM | 9.19 | Binding affinity towards Muscarinic acetylcholine receptor M3 was determined in ... | 9016336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9016336 | 10.1021/jm960374w | Muscarinic acetylcholine receptor M1 | 1 |
| 9016336 | 10.1021/jm960374w | Muscarinic acetylcholine receptor M2 | 1 |
| 9016336 | 10.1021/jm960374w | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine