Compound Detail
CHEMBL352638
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Basic Information
| ChEMBL ID | CHEMBL352638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXSZRXSHHDVYKU-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.40
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.2
Ki 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 9.22 | 8.655 | 0.6 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Kd | 8.2 | 8.1 | 6.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.6 | nM | 9.22 | In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measu... | - |
| Muscarinic acetylcholine receptor M1 | Kd | = | 6.31 | nM | 8.2 | Compound was tested in vitro for its efficacy in the ileum model as a functional... | - |
| Muscarinic acetylcholine receptor M1 | Ki | = | 8.1 | nM | 8.09 | In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of mus... | - |
| Muscarinic acetylcholine receptor M1 | Kd | = | 10.0 | nM | 8.0 | 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