Compound Detail
CHEMBL12112
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Basic Information
| ChEMBL ID | CHEMBL12112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XODXGCYDQIVEMZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
488.7
MW (Da)
5.69
ALogP
5
HBA
0
HBD
49.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.59 | 6.59 | 256.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 256.0 | nM | 6.59 | Binding affinity against muscarinic acetylcholine receptor M2 stably expressed i... | 11909724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11909724 | 10.1016/s0960-894x(02)00096-3 | Muscarinic acetylcholine receptor M2 | 1 |
| 11909724 | 10.1016/s0960-894x(02)00096-3 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
| 11909724 | 10.1016/s0960-894x(02)00096-3 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
| 11909724 | 10.1016/s0960-894x(02)00096-3 | Muscarinic acetylcholine receptor M2 and M4 | 1 |
| 11909724 | 10.1016/s0960-894x(02)00096-3 | Muscarinic acetylcholine receptor M2 and M5 | 1 |
Data from ChEMBL 36 via Core Engine