Compound Detail
CHEMBL1197117
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CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL1197117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCGOYQXWRQDKNB-BRRDBMODSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
5.59
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | IC50 | = | 23.0 | nM | 7.64 | [3H]-NMS Binding Assay: The binding of [3H]-NMS to human muscarinic receptors wa... | - |
Data from ChEMBL 36 via Core Engine