Compound Detail
CHEMBL2308786
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CN1[C@@H]2CC[C@H]1C[C@@H](CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2
Basic Information
| ChEMBL ID | CHEMBL2308786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABFWCAYAWMISPA-YBULGZATSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
5.55
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.26 | 6.26 | 545.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.22 | 6.22 | 596.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 6.08 | 6.08 | 839.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | IC50 | = | 545.0 | nM | 6.26 | Antagonist activity against human cloned muscarinic M2 receptor expressed in CHO... | 19616944 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 596.0 | nM | 6.22 | Antagonist activity against human cloned muscarinic M1 receptor expressed in CHO... | 19616944 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 839.0 | nM | 6.08 | Antagonist activity against human cloned muscarinic M3 receptor expressed in CHO... | 19616944 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 839.0 | nM | 6.08 | 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