Compound Detail
CHEMBL3084405
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Cc1c(F)cccc1C(O)(C[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1cccc(F)c1C.[Br-]
Basic Information
| ChEMBL ID | CHEMBL3084405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNSVMWRWDZXNMX-XLMMQIPYSA-M |
| Parent Compound | CHEMBL3140098 |
| Active Moiety | CHEMBL3140098 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
5.23
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.70
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | IC50 | = | 65.0 | nM | 7.19 | Antagonist activity against human M3 receptor expressed in CHO cells assessed as... | 19630384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19630384 | 10.1021/jm900736e | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine