Compound Detail
CHEMBL168348
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Basic Information
| ChEMBL ID | CHEMBL168348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHJZXQCAWNKDMX-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.20
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.21
Kd 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.21 | 5.88 | 620.0 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Kd | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 620.0 | nM | 6.21 | In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measu... | - |
| Muscarinic acetylcholine receptor M1 | Ki | = | 2800.0 | nM | 5.55 | In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of mus... | - |
| Muscarinic acetylcholine receptor M1 | Kd | = | 5011.87 | nM | 5.3 | Compound was tested in vitro for its muscarinic m1 receptor agonist potency in t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80537-5 | Muscarinic acetylcholine receptor M1 | 4 |
Data from ChEMBL 36 via Core Engine