Compound Detail
CHEMBL4639938
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1[C@@H]2C[C@H](OC(=O)Nc3ccc(F)cc3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL4639938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXUDJJIKYUMXJI-DHEZPFDPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
3.65
ALogP
4
HBA
1
HBD
54.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 9.19 | 9.19 | 0.7 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 0.65 | nM | 9.19 | Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transi... | 32202101 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1.1 | nM | 8.96 | Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transi... | 32202101 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 47.0 | nM | 7.33 | Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor transi... | 32202101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32202101 | 10.1021/acs.jmedchem.0c00297 | Muscarinic acetylcholine receptor M1 | 1 |
| 32202101 | 10.1021/acs.jmedchem.0c00297 | Muscarinic acetylcholine receptor M2 | 1 |
| 32202101 | 10.1021/acs.jmedchem.0c00297 | Muscarinic acetylcholine receptor M3 | 1 |
| 32202101 | 10.1021/acs.jmedchem.0c00297 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
Data from ChEMBL 36 via Core Engine