Compound Detail
CHEMBL403829
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Basic Information
| ChEMBL ID | CHEMBL403829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYEGUIQJLAFDDY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
1.41
ALogP
6
HBA
1
HBD
58.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.51 | 6.51 | 309.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 309.03 | nM | 6.51 | Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... | 17977730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17977730 | 10.1016/j.bmc.2007.10.058 | Muscarinic acetylcholine receptor M1 | 2 |
Data from ChEMBL 36 via Core Engine