Compound Detail
CHEMBL159839
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Basic Information
| ChEMBL ID | CHEMBL159839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCSJHBQCFKPJAF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181224 |
| Active Moiety | CHEMBL1181224 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
2.06
ALogP
4
HBA
0
HBD
42.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.72 | 5.805 | 191.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 191.0 | nM | 6.72 | In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain... | 1995893 |
| Muscarinic acetylcholine receptor | IC50 | = | 12900.0 | nM | 4.89 | 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 | 6 |
Data from ChEMBL 36 via Core Engine