Compound Detail
CHEMBL82378
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Basic Information
| ChEMBL ID | CHEMBL82378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDDIWPZUHAJMSE-VAWYXSNFSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
194.3
MW (Da)
1.66
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 8.15 | 7.025 | 7.1 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.67 | 6.67 | 216.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.29 | 6.29 | 519.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 7.08 | nM | 8.15 | Muscarinic acetylcholine receptor binding assay was conducted using [3H]cis-meth... | 9651157 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 216.0 | nM | 6.67 | Binding affinity of compound labeled by [3H]QNB in CHO cells selectively express... | 9651157 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 519.0 | nM | 6.29 | Binding affinity of compound labeled by [3H]QNB in CHO cells selectively express... | 9651157 |
| Muscarinic acetylcholine receptor | IC50 | = | 1270.0 | nM | 5.9 | Muscarinic acetylcholine receptor binding assay was conducted using [3H]quinucli... | 9651157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor | 3 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor M2 | 1 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor M1 | 1 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
Data from ChEMBL 36 via Core Engine