Compound Detail
CHEMBL91776
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Basic Information
| ChEMBL ID | CHEMBL91776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCHFTSOMWOSFHM-WCBMZHEXSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
208.3
MW (Da)
1.16
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.18
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | EC50 | 5.18 | 5.18 | 6606.9 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | EC50 | 4.99 | 4.99 | 10232.9 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | EC50 | 4.83 | 4.83 | 14791.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 4.75 | 4.75 | 17782.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 430.0 | nM | 6.37 | Ability to displace [3H]cis--2-methyl-5-((dimethylamino)methyl)-1,3-di oxolane f... | 1732522 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 1800.0 | nM | 5.75 | Ability to displace [3H]pirenzepine (pir) from muscarinic acetylcholine receptor... | 1732522 |
| Muscarinic acetylcholine receptor M5 | EC50 | = | 6606.93 | nM | 5.18 | Partial agonist activity at N-terminal FLAG tagged/C-terminal NanoLuc tagged hum... | 37042802 |
| Muscarinic acetylcholine receptor M3 | EC50 | = | 10232.93 | nM | 4.99 | Partial agonist activity at C-terminal NanoLuc tagged human muscarinic M3 recept... | 37042802 |
| Muscarinic acetylcholine receptor M4 | EC50 | = | 14791.08 | nM | 4.83 | Partial agonist activity at N-terminal FLAG tagged/C-terminal NanoLuc tagged hum... | 37042802 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 17782.79 | nM | 4.75 | Partial agonist activity at N-terminal FLAG tagged/C-terminal NanoLuc tagged hum... | 37042802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor M1 | 4 |
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor | 3 |
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor M3 | 2 |
| 940111 | 10.1021/jm00229a014 | Ileum | 2 |
| 37042802 | 10.1021/acs.jnatprod.2c01079 | Muscarinic acetylcholine receptor M1 | 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 |
| 37042802 | 10.1021/acs.jnatprod.2c01079 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine