Compound Detail
CHEMBL60331
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Basic Information
| ChEMBL ID | CHEMBL60331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXACNOPCOXTCRT-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.9
MW (Da)
3.29
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.34
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 7.34 | 7.34 | 46.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | IC50 | 6.85 | 6.85 | 142.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 6.12 | 6.12 | 763.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 46.0 | nM | 7.34 | Stimulation of phosphoinositol hydrolysis in the mouse fibroblast cell line A9L-... | 10354408 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 142.0 | nM | 6.85 | Inhibition of [3H]- Oxo-M binding at Muscarinic acetylcholine receptor M2 in rat... | 10354408 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 763.0 | nM | 6.12 | Compound was tested for its potency at M-2 receptor by inhibiting forskolin indu... | 10354408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10354408 | 10.1021/jm9910019 | Muscarinic acetylcholine receptor M2 | 3 |
| 10354408 | 10.1021/jm9910019 | Muscarinic acetylcholine receptor M1 | 2 |
| 10354408 | 10.1021/jm9910019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine