Compound Detail
CHEMBL2206335
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Basic Information
| ChEMBL ID | CHEMBL2206335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXPBRIOEFRSDGR-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
4.19
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.89
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.89 | 5.8 | 1288.2 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 1288.25 | nM | 5.89 | Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 1... | 22329602 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1949.84 | nM | 5.71 | Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated a... | 22329602 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 3700.0 | nM | 5.43 | Antagonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 r... | 22329602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22329602 | 10.1021/jm201348t | Muscarinic acetylcholine receptor M1 | 5 |
| 22329602 | 10.1021/jm201348t | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine