Compound Detail
CHEMBL71124
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 | CHEMBL71124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDXFHBBFUCQHAL-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
6.01
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 10.15 | 10.15 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 9.85 | 9.85 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 9.28 | 9.28 | 0.5 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.78 | 8.78 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 0.07 | nM | 10.15 | Binding affinity against Muscarinic acetylcholine receptor M4 | 11012031 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.14 | nM | 9.85 | Binding affinity against Muscarinic acetylcholine receptor M2 | 11012031 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 0.16 | nM | 9.8 | Binding affinity against Muscarinic acetylcholine receptor M3 | 11012031 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.53 | nM | 9.28 | Binding affinity against Muscarinic acetylcholine receptor M1 | 11012031 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 1.66 | nM | 8.78 | The compound was tested for the binding affinity against Muscarinic acetylcholin... | 11012031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012031 | 10.1016/s0960-894x(00)00437-6 | Muscarinic acetylcholine receptor M1 | 1 |
| 11012031 | 10.1016/s0960-894x(00)00437-6 | Muscarinic acetylcholine receptor M2 | 1 |
| 11012031 | 10.1016/s0960-894x(00)00437-6 | Muscarinic acetylcholine receptor M3 | 1 |
| 11012031 | 10.1016/s0960-894x(00)00437-6 | Muscarinic acetylcholine receptor M4 | 1 |
| 11012031 | 10.1016/s0960-894x(00)00437-6 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine