Compound Detail
CHEMBL422538
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Basic Information
| ChEMBL ID | CHEMBL422538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQMDQYICQZFAQS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185589 |
| Active Moiety | CHEMBL1185589 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
0.93
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
EC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.36 | 5.765 | 43.5 | 2 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | EC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 43.5 | nM | 7.36 | In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain... | 1995893 |
| Muscarinic acetylcholine receptor | EC50 | = | 420.0 | nM | 6.38 | Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ile... | 1995893 |
| Muscarinic acetylcholine receptor | IC50 | = | 66900.0 | nM | 4.17 | In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat b... | 1995893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995893 | 10.1021/jm00106a033 | Muscarinic acetylcholine receptor | 5 |
Data from ChEMBL 36 via Core Engine