Compound Detail
CHEMBL4461438
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Basic Information
| ChEMBL ID | CHEMBL4461438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWGLXRCCVIVRSY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
3.28
ALogP
5
HBA
0
HBD
54.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 5.6 | 5.6 | 2520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | EC50 | = | 11.0 | nM | 7.96 | Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK ... | 31223452 |
| Unchecked | EC50 | = | 30.0 | nM | 7.52 | In Vitro M4 &M2 Functional Assay: The functional activity of compounds at the M4... | - |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 2520.0 | nM | 5.6 | Agonist activity at human Muscarinic acetylcholine receptor M2 expressed in HEK ... | 31223452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31223452 | 10.1021/acsmedchemlett.9b00106 | Muscarinic acetylcholine receptor M4 | 2 |
| 31223452 | 10.1021/acsmedchemlett.9b00106 | Muscarinic acetylcholine receptor M2 | 2 |
Data from ChEMBL 36 via Core Engine