Compound Detail
CHEMBL553434
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 | CHEMBL553434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYIQLEVPUSNDHE-HNCPQSOCSA-M |
| Parent Compound | CHEMBL504733 |
| Active Moiety | CHEMBL504733 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
180.3
MW (Da)
2.50
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.57 | 5.57 | 2691.5 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.11 | 5.11 | 7762.5 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.02 | 5.02 | 9549.9 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.86 | 4.86 | 13803.8 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.86 | 4.86 | 13803.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 2691.53 | nM | 5.57 | Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 7762.47 | nM | 5.11 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 9549.93 | nM | 5.02 | Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 13803.84 | nM | 4.86 | Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 13803.84 | nM | 4.86 | Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells... | 18543900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18543900 | 10.1021/jm800145d | Unchecked | 6 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M1 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M2 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M3 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M4 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine