Compound Detail
CHEMBL5272950
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Basic Information
| ChEMBL ID | CHEMBL5272950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URBYRAOLXWIITQ-ZCFIWIBFSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
166.2
MW (Da)
0.52
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 5.86 | 5.86 | 1380.4 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 5.21 | 5.21 | 6165.9 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | EC50 | 5.13 | 5.13 | 7413.1 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | EC50 | 4.83 | 4.83 | 14791.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | EC50 | 4.68 | 4.68 | 20893.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 1380.38 | nM | 5.86 | Partial agonist activity at C-terminal NanoLuc tagged human muscarinic M2 recept... | 37042802 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 6165.95 | nM | 5.21 | Partial agonist activity at N-terminal FLAG tagged/C-terminal NanoLuc tagged hum... | 37042802 |
| Muscarinic acetylcholine receptor M4 | EC50 | = | 7413.1 | nM | 5.13 | Partial agonist activity at N-terminal FLAG tagged/C-terminal NanoLuc tagged hum... | 37042802 |
| Muscarinic acetylcholine receptor M5 | EC50 | = | 14791.08 | nM | 4.83 | Partial agonist activity at N-terminal FLAG tagged/C-terminal NanoLuc tagged hum... | 37042802 |
| Muscarinic acetylcholine receptor M3 | EC50 | = | 20892.96 | nM | 4.68 | Partial agonist activity at C-terminal NanoLuc tagged human muscarinic M3 recept... | 37042802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37042802 | 10.1021/acs.jnatprod.2c01079 | Muscarinic acetylcholine receptor M1 | 2 |
| 37042802 | 10.1021/acs.jnatprod.2c01079 | Muscarinic acetylcholine receptor M2 | 2 |
| 37042802 | 10.1021/acs.jnatprod.2c01079 | Muscarinic acetylcholine receptor M3 | 2 |
| 37042802 | 10.1021/acs.jnatprod.2c01079 | Muscarinic acetylcholine receptor M4 | 2 |
| 37042802 | 10.1021/acs.jnatprod.2c01079 | Muscarinic acetylcholine receptor M5 | 2 |
Data from ChEMBL 36 via Core Engine