Compound Detail
CHEMBL163777
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COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL163777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZFNPOZRQHNAAX-RTWAWAEBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
4.93
ALogP
5
HBA
0
HBD
49.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.3 | nM | 9.52 | Binding affinity against human cloned Muscarinic acetylcholine receptor M2. | 11859004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11859004 | 10.1016/s0960-894x(02)00023-9 | Muscarinic acetylcholine receptor M2 | 1 |
| 11859004 | 10.1016/s0960-894x(02)00023-9 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine