Compound Detail
CHEMBL3084414
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccccc1C(=C[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1C.[Br-]
Basic Information
| ChEMBL ID | CHEMBL3084414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQQJNQGIQPUNDW-XQJPQCLXSA-M |
| Parent Compound | CHEMBL3140115 |
| Active Moiety | CHEMBL3140115 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
5.75
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Kd | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Kd | = | 0.1 | nM | 10.0 | 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 | 2 |
| 19630384 | 10.1021/jm900736e | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine