Compound Detail
CHEMBL90409
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Basic Information
| ChEMBL ID | CHEMBL90409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWYKXKGPFMXVIY-WPRPVWTQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
207.3
MW (Da)
0.73
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.07 | 6.07 | 845.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 5.29 | 5.29 | 5150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 845.0 | nM | 6.07 | Ability to displace [3H]cis--2-methyl-5-((dimethylamino)methyl)-1,3-di oxolane f... | 1732522 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 5150.0 | nM | 5.29 | Ability to displace [3H]pirenzepine (pir) from muscarinic acetylcholine receptor... | 1732522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor M1 | 4 |
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor | 3 |
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor M3 | 2 |
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine