Compound Detail
CHEMBL100209
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Basic Information
| ChEMBL ID | CHEMBL100209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVPRJVMPFHEDIF-GAYQJXMFSA-N |
| Parent Compound | CHEMBL1179796 |
| Active Moiety | CHEMBL1179796 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
255.7
MW (Da)
1.78
ALogP
5
HBA
0
HBD
50.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 7.36 | 6.095 | 44.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 44.0 | nM | 7.36 | Ability to displace [3H]oxotremorine from Muscarinic acetylcholine receptor M1 e... | 11597415 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 14900.0 | nM | 4.83 | Ability to displace [3H]N-methylscopolamine from Muscarinic acetylcholine recept... | 11597415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597415 | 10.1016/s0960-894x(01)00559-5 | Muscarinic acetylcholine receptor M1 | 3 |
Data from ChEMBL 36 via Core Engine