Compound Detail
CHEMBL137384
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Basic Information
| ChEMBL ID | CHEMBL137384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COFRKLYXCWVCKM-JZGIUJARSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
0.46
ALogP
4
HBA
0
HBD
48.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.64 | 6.64 | 23.0 | 2 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.93 | 5.93 | 1180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 23.0 | nM | 7.64 | In vitro affinity evaluated using [3H]- oxotremorine as radioligand in rat cereb... | 9435896 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 380.0 | nM | 6.42 | In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioliga... | 9435896 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 610.0 | nM | 6.21 | In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioliga... | 9435896 |
| Muscarinic acetylcholine receptor M4 | IC50 | = | 800.0 | nM | 6.1 | In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioliga... | 9435896 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 1180.0 | nM | 5.93 | In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinu... | 9435896 |
| Muscarinic acetylcholine receptor | IC50 | = | 2300.0 | nM | 5.64 | In vitro affinity evaluated using [3H]- quinuclidinyl benzilate as radioligand i... | 9435896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435896 | 10.1021/jm9702903 | Rattus norvegicus | 3 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor | 2 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor M1 | 2 |
| 9435896 | 10.1021/jm9702903 | NON-PROTEIN TARGET | 2 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor M2 | 1 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor M3 | 1 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor M4 | 1 |
Data from ChEMBL 36 via Core Engine