Compound Detail
CHEMBL594801
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 | CHEMBL594801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYKQDBAAANMOGS-SBSPUUFOSA-M |
| Parent Compound | CHEMBL1198075 |
| Active Moiety | CHEMBL1198075 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
188.3
MW (Da)
0.89
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.74 | 4.74 | 18197.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.67 | 4.67 | 21379.6 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.55 | 4.55 | 28183.8 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.35 | 4.35 | 44668.4 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.32 | 4.32 | 47863.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 18197.01 | nM | 4.74 | Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells... | 19896386 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 21379.62 | nM | 4.67 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells... | 19896386 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 28183.83 | nM | 4.55 | Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells... | 19896386 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 44668.36 | nM | 4.35 | Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells... | 19896386 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 47863.01 | nM | 4.32 | Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... | 19896386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19896386 | 10.1016/j.bmc.2009.10.027 | Unchecked | 9 |
| 19896386 | 10.1016/j.bmc.2009.10.027 | Muscarinic acetylcholine receptor M3 | 3 |
| 19896386 | 10.1016/j.bmc.2009.10.027 | Muscarinic acetylcholine receptor M2 | 1 |
| 19896386 | 10.1016/j.bmc.2009.10.027 | Muscarinic acetylcholine receptor M5 | 1 |
| 19896386 | 10.1016/j.bmc.2009.10.027 | Muscarinic acetylcholine receptor M4 | 1 |
| 19896386 | 10.1016/j.bmc.2009.10.027 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine