Compound Detail
CHEMBL161189
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Basic Information
| ChEMBL ID | CHEMBL161189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCENAKFFYLPIPK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
2.03
ALogP
4
HBA
1
HBD
51.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.16 | 5.175 | 685.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 685.0 | nM | 6.16 | In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain... | 1995893 |
| Muscarinic acetylcholine receptor | IC50 | = | 64300.0 | nM | 4.19 | 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