Compound Detail
CHEMBL77079
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Basic Information
| ChEMBL ID | CHEMBL77079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSUDGBJNOLZUBI-UHFFFAOYSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
0.45
ALogP
2
HBA
0
HBD
26.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.57
EC50 1 meas. best 7.0
Kd 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 8.57 | 7.04 | 2.7 | 3 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 2.7 | nM | 8.57 | Binding affinity to muscarinic acetylcholine receptor was determined in presence... | 1875333 |
| Muscarinic acetylcholine receptor M3 | EC50 | = | 100.0 | nM | 7.0 | Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea p... | 1507212 |
| Muscarinic acetylcholine receptor | Ki | = | 180.0 | nM | 6.75 | Binding affinity to muscarinic acetylcholine receptor was determined in presence... | 1875333 |
| Muscarinic acetylcholine receptor | Ki | = | 1600.0 | nM | 5.8 | Displacement of [3H]3-quinuclidinyl benzilate ([3H]-QNB) from muscarinic acetylc... | 1507212 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 2900.0 | nM | 5.54 | Dissociation constant for complex with muscarinic acetylcholine receptor M3 of g... | 1507212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875333 | 10.1021/jm00112a002 | Mus musculus | 6 |
| 1507212 | 10.1021/jm00095a025 | Muscarinic acetylcholine receptor M3 | 4 |
| 1875333 | 10.1021/jm00112a002 | Muscarinic acetylcholine receptor | 3 |
| 1507212 | 10.1021/jm00095a025 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine