Compound Detail
CHEMBL4085451
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 | CHEMBL4085451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMTOMXCTHCDJRK-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4117201 |
| Active Moiety | CHEMBL4117201 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
2.26
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 2500.0 | nM | 5.6 | Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarin... | 29094937 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 4000.0 | nM | 5.4 | Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarin... | 29094937 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 4400.0 | nM | 5.36 | Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarin... | 29094937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29094937 | 10.1021/acs.jmedchem.7b01113 | Muscarinic acetylcholine receptor M2 | 3 |
| 29094937 | 10.1021/acs.jmedchem.7b01113 | Muscarinic acetylcholine receptor M1 | 1 |
| 29094937 | 10.1021/acs.jmedchem.7b01113 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine