Compound Detail
CHEMBL115416
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Basic Information
| ChEMBL ID | CHEMBL115416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUMPMMHAUWRONL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
3.54
ALogP
4
HBA
0
HBD
38.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 7.58 | 7.255 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 26.0 | nM | 7.58 | Binding activity against muscarinic acetylcholine receptor M1 in rat brain, usin... | 7658434 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 117.0 | nM | 6.93 | Binding activity against muscarinic acetylcholine receptor M1 in rat brain, usin... | 7658434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658434 | 10.1021/jm00018a007 | Muscarinic acetylcholine receptor M1 | 2 |
| 7658434 | 10.1021/jm00018a007 | A9 | 1 |
| 7658434 | 10.1021/jm00018a007 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine