Compound Detail
CHEMBL1202131
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Basic Information
| ChEMBL ID | CHEMBL1202131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQTHRQNXIAFOTM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL348946 |
| Active Moiety | CHEMBL348946 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
1.45
ALogP
3
HBA
1
HBD
49.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 3100.0 | nM | 5.51 | Muscarinic acetylcholine receptor binding affinity was determined using [3H]NMS ... | 2153827 |
| Muscarinic acetylcholine receptor | Ki | = | 6700.0 | nM | 5.17 | Binding affinity was determined using [3H]-NMS for Muscarinic acetylcholine rece... | 2153827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153827 | 10.1021/jm00164a044 | Muscarinic acetylcholine receptor M3 | 3 |
| 2153827 | 10.1021/jm00164a044 | Muscarinic acetylcholine receptor M4 | 2 |
| 2153827 | 10.1021/jm00164a044 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine