Compound Detail
CHEMBL279225
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 | CHEMBL279225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDIDITZTHXPBSB-JQIJEIRASA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.04
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.04 | 5.04 | 9120.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.66 | 4.66 | 21877.6 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.33 | 4.33 | 46773.5 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.28 | 4.28 | 52480.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.2 | 4.2 | 63095.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 9120.11 | nM | 5.04 | Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 21877.62 | nM | 4.66 | Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 46773.51 | nM | 4.33 | Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 52480.75 | nM | 4.28 | Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 63095.73 | nM | 4.2 | Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]... | 11354386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M1 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M2 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M3 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M4 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine