Compound Detail
CHEMBL346030
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Basic Information
| ChEMBL ID | CHEMBL346030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGPYGOJGSSXSNX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL12378 |
| Active Moiety | CHEMBL12378 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
1.10
ALogP
4
HBA
0
HBD
42.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.91
EC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.91 | 6.15 | 12.3 | 2 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 12.3 | nM | 7.91 | In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain... | 1995893 |
| Muscarinic acetylcholine receptor | EC50 | = | 32.0 | nM | 7.5 | Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ile... | 1995893 |
| Muscarinic acetylcholine receptor | IC50 | = | 41000.0 | nM | 4.39 | 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