Compound Detail
CHEMBL1256938
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Basic Information
| ChEMBL ID | CHEMBL1256938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHZKEIGIPUVVKQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1618160 |
| Active Moiety | CHEMBL1618160 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
554.9
MW (Da)
7.87
ALogP
6
HBA
4
HBD
66.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.93
Ki 1 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.98 | 7.98 | 10.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.93 | 5.93 | 1174.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 10.38 | nM | 7.98 | Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells | 17889543 |
| Unchecked | IC50 | = | 1174.9 | nM | 5.93 | Antagonistic activity against isolated frog rectus abdominus muscle (FRA) | 10602706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10602706 | 10.1021/jm991110n | Unchecked | 1 |
| 10602706 | 10.1021/jm991110n | Muscarinic acetylcholine receptor M2 | 1 |
| 10602706 | 10.1021/jm991110n | Muscarinic acetylcholine receptor M3 | 1 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine