Compound Detail
CHEMBL3084663
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
Basic Information
| ChEMBL ID | CHEMBL3084663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSIVUDDVVOILTG-LQLSTCSOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.6
MW (Da)
4.55
ALogP
2
HBA
2
HBD
44.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.89 | 5.89 | 1276.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 5.81 | 5.81 | 1553.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.71 | 5.71 | 1939.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 1276.0 | nM | 5.89 | Antagonist activity against human cloned muscarinic M1 receptor expressed in CHO... | 19616944 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 1553.0 | nM | 5.81 | Antagonist activity against human cloned muscarinic M2 receptor expressed in CHO... | 19616944 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 1939.0 | nM | 5.71 | Antagonist activity against human cloned muscarinic M3 receptor expressed in CHO... | 19616944 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 1939.0 | nM | 5.71 | Antagonist activity against human M3 receptor expressed in CHO cells assessed as... | 19630384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19616944 | 10.1016/j.bmcl.2009.07.006 | Muscarinic acetylcholine receptor M1 | 2 |
| 19616944 | 10.1016/j.bmcl.2009.07.006 | Muscarinic acetylcholine receptor M2 | 2 |
| 19616944 | 10.1016/j.bmcl.2009.07.006 | Muscarinic acetylcholine receptor M3 | 2 |
| 19630384 | 10.1021/jm900736e | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine