Compound Detail
CHEMBL72908
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Basic Information
| ChEMBL ID | CHEMBL72908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUMIJHZAYSFFQE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL305401 |
| Active Moiety | CHEMBL305401 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
1.27
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 7.66 | 7.245 | 22.0 | 2 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.44 | 6.44 | 364.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 22.0 | nM | 7.66 | In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat ... | 1613751 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 148.0 | nM | 6.83 | In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat ... | 1613751 |
| Oryctolagus cuniculus | IC50 | = | 364.0 | nM | 6.44 | In vitro inhibition of twitch height in electrically stimulated rabbit vas defer... | 1613751 |
| Cavia porcellus | IC50 | = | 1100.0 | nM | 5.96 | In vitro inhibition of force of contraction in guinea pig atria. | 1613751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1613751 | 10.1021/jm00090a019 | Muscarinic acetylcholine receptor M1 | 2 |
| 1613751 | 10.1021/jm00090a019 | Oryctolagus cuniculus | 2 |
| 1613751 | 10.1021/jm00090a019 | Cavia porcellus | 2 |
Data from ChEMBL 36 via Core Engine