Compound Detail
CHEMBL113745
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Basic Information
| ChEMBL ID | CHEMBL113745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCYWQSIELKTIEB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.37
ALogP
3
HBA
0
HBD
40.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 7.22 | 6.8833 | 60.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 60.0 | nM | 7.22 | Receptor binding affinity (Ki) against Muscarinic acetylcholine receptor (cerebr... | 8765510 |
| Muscarinic acetylcholine receptor | Ki | = | 160.0 | nM | 6.8 | Receptor binding affinity (Ki) for Muscarinic acetylcholine receptor (heart)was ... | 8765510 |
| Muscarinic acetylcholine receptor | Ki | = | 236.0 | nM | 6.63 | Receptor binding affinity (Ki) for Muscarinic acetylcholine receptor (parotid gl... | 8765510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8765510 | 10.1021/jm950455c | Muscarinic acetylcholine receptor | 3 |
Data from ChEMBL 36 via Core Engine