Compound Detail
CHEMBL2114395
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Basic Information
| ChEMBL ID | CHEMBL2114395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOWTXKLQSINMKI-ZBFHGGJFSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
1.53
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Ki | 7.06 | 7.06 | 87.5 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL2672 | Ki | 6.81 | 6.81 | 156.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 5.86 | 5.36 | 1372.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Ki | = | 87.5 | nM | 7.06 | Evaluated for the phosphatidyl inositol turnover at Muscarinic acetylcholine rec... | 3385735 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 156.0 | nM | 6.81 | Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of... | 3385735 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1372.0 | nM | 5.86 | Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of... | 3385735 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 13700.0 | nM | 4.86 | Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart | 3385735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3385735 | 10.1021/jm00402a035 | Muscarinic acetylcholine receptor M2 | 3 |
| 3385735 | 10.1021/jm00402a035 | Muscarinic acetylcholine receptor M1 | 2 |
| 3385735 | 10.1021/jm00402a035 | Rattus norvegicus | 1 |
| 3385735 | 10.1021/jm00402a035 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
| 3385735 | 10.1021/jm00402a035 | Muscarinic receptor M1 and M2 | 1 |
Data from ChEMBL 36 via Core Engine