Compound Detail
CHEMBL3121473
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
Basic Information
| ChEMBL ID | CHEMBL3121473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXXOCGISBCTWPW-UHFFFAOYSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
197.3
MW (Da)
0.45
ALogP
3
HBA
0
HBD
30.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.1
IC50 1 meas. best 8.9
Kd 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic receptor 2 CHEMBL1075061 | EC50 | 10.1 | 9.94 | 0.1 | 2 |
| Unchecked CHEMBL612545 | EC50 | 9.87 | 9.87 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 8.9 | 8.9 | 1.3 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 8.69 | 8.69 | 2.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Kd | 5.67 | 5.67 | 2138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic receptor 2 | EC50 | = | 0.07943 | nM | 10.1 | Agonist activity at muscarinic M2 receptor in albino guinea pig left atrium asse... | 24534538 |
| Unchecked | EC50 | = | 0.1349 | nM | 9.87 | Agonist activity at muscarinic M1 receptor in New Zealand rabbit vas deferens as... | 24534538 |
| Muscarinic receptor 2 | EC50 | = | 0.166 | nM | 9.78 | Agonist activity at muscarinic M3 receptor in albino guinea pig ileum assessed a... | 24534538 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 1.259 | nM | 8.9 | Agonist activity at human muscarinic M1 receptor expressed in HEK293T cells co-e... | 30827105 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 2.042 | nM | 8.69 | Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed... | 25478907 |
| Muscarinic acetylcholine receptor M1 | Kd | = | 2137.96 | nM | 5.67 | Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expresse... | 25478907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24534538 | 10.1016/j.ejmech.2014.01.032 | Mus musculus | 7 |
| 25478907 | 10.1021/jm500860w | Muscarinic acetylcholine receptor M1 | 5 |
| 24534538 | 10.1016/j.ejmech.2014.01.032 | Muscarinic receptor 2 | 4 |
| 24534538 | 10.1016/j.ejmech.2014.01.032 | Unchecked | 2 |
| 30827105 | 10.1021/acs.jmedchem.8b01822 | Muscarinic acetylcholine receptor M1 | 2 |
| 24534538 | 10.1016/j.ejmech.2014.01.032 | Acetylcholine receptor subunit epsilon | 1 |
Data from ChEMBL 36 via Core Engine