Compound Detail
CHEMBL139603
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Basic Information
| ChEMBL ID | CHEMBL139603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQCPQPVEHGBNPZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
593.0
MW (Da)
7.61
ALogP
10
HBA
0
HBD
58.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.0
Ki 1 meas. best 9.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 9.16 | 9.16 | 0.7 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.69 | nM | 9.16 | Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by displ... | 11741475 |
| Muscarinic acetylcholine receptor M4 | EC50 | = | 1.0 | nM | 9.0 | Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells. | 11741475 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 13000.0 | nM | 4.89 | Agonistic activity against M1 muscarinic receptor expressed in A9 L cells. | 11741475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741475 | 10.1021/jm0102405 | Muscarinic acetylcholine receptor M1 | 3 |
| 11741475 | 10.1021/jm0102405 | Muscarinic acetylcholine receptor M4 | 1 |
| 11741475 | 10.1021/jm0102405 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine