Compound Detail
CHEMBL594803
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Basic Information
| ChEMBL ID | CHEMBL594803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEMZFYRAGKOYMF-BAUSSPIASA-M |
| Parent Compound | CHEMBL1198077 |
| Active Moiety | CHEMBL1198077 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
1.28
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.49 | 4.49 | 32359.4 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.28 | 4.28 | 52480.8 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.24 | 4.24 | 57544.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.22 | 4.22 | 60256.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.17 | 4.17 | 67608.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 32359.37 | nM | 4.49 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells... | 19896386 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 52480.75 | nM | 4.28 | Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells... | 19896386 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 57543.99 | nM | 4.24 | Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells... | 19896386 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 60255.96 | nM | 4.22 | Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells... | 19896386 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 67608.3 | nM | 4.17 | 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 | 5 |
| 19896386 | 10.1016/j.bmc.2009.10.027 | Muscarinic acetylcholine receptor M3 | 3 |
| 19896386 | 10.1016/j.bmc.2009.10.027 | Muscarinic acetylcholine receptor M4 | 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 M2 | 1 |
| 19896386 | 10.1016/j.bmc.2009.10.027 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine