Compound Detail
CHEMBL113397
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Basic Information
| ChEMBL ID | CHEMBL113397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKEKXGMFLBCYNC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
5.17
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.65
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 7.7 | 7.265 | 20.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 20.0 | nM | 7.7 | Receptor binding affinity (Ki) against Muscarinic acetylcholine receptor (cerebr... | 8765510 |
| Muscarinic acetylcholine receptor | Ki | = | 56.0 | nM | 7.25 | Receptor binding affinity (Ki) for Muscarinic acetylcholine receptor (parotid gl... | 8765510 |
| Muscarinic acetylcholine receptor | Ki | = | 72.0 | nM | 7.14 | Receptor binding affinity (Ki) for Muscarinic acetylcholine receptor (heart)was ... | 8765510 |
| Muscarinic acetylcholine receptor | Ki | = | 107.0 | nM | 6.97 | Receptor binding affinity (Ki) for Muscarinic acetylcholine receptor (urinary bl... | 8765510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8765510 | 10.1021/jm950455c | Muscarinic acetylcholine receptor | 4 |
| 8765510 | 10.1021/jm950455c | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine