Compound Detail
CHEMBL2112942
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Basic Information
| ChEMBL ID | CHEMBL2112942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMUQVFDMUDOFSH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.3
MW (Da)
2.85
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 9.57 | 9.57 | 0.3 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 8.97 | 8.97 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 0.27 | nM | 9.57 | Ability to displace [3H]N-methylscopolamine (NMS) from M3 receptor in rat submax... | 8464039 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.78 | nM | 9.11 | Ability to displace [3H]pirenzepine (PZ) from M1 receptor in rat cortex homogena... | 8464039 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1.06 | nM | 8.97 | Ability to displace [3H](-)-quinuclidinyl benzilate(QNB) from M2 receptor in rat... | 8464039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8464039 | 10.1021/jm00059a009 | Rattus norvegicus | 54 |
| 8464039 | 10.1021/jm00059a009 | Muscarinic acetylcholine receptor M1 | 1 |
| 8464039 | 10.1021/jm00059a009 | Muscarinic acetylcholine receptor M2 | 1 |
| 8464039 | 10.1021/jm00059a009 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine