Compound Detail
CHEMBL542064
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Basic Information
| ChEMBL ID | CHEMBL542064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDXIQSRFVLMXFL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191028 |
| Active Moiety | CHEMBL1191028 |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
180.2
MW (Da)
-0.20
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.04
EC50 1 meas. best 4.3
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL3733 | Ki | 8.04 | 7.945 | 9.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL3733 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 9.01 | nM | 8.04 | Binding affinity (low) of [3H](R)-QNB binding to Muscarinic acetylcholine recept... | 9111297 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 14.0 | nM | 7.85 | Binding affinity (high) of [3H](R)-QNB binding to Muscarinic acetylcholine recep... | 9111297 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of specific [3H](R)-QNB binding to Muscarinic acetylcholine receptor ... | 9111297 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 50000.0 | nM | 4.3 | Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line | 9111297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111297 | 10.1021/jm960467d | Muscarinic acetylcholine receptor M1 | 6 |
| 9111297 | 10.1021/jm960467d | Unchecked | 1 |
| 9111297 | 10.1021/jm960467d | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine