Compound Detail
CHEMBL52852
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
CC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5cccc6[nH]ccc56)CC4)CC3)OCCO2)cc1
Basic Information
| ChEMBL ID | CHEMBL52852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSHXUXNLMDHCOP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
4.52
ALogP
5
HBA
2
HBD
86.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 1.1 | nM | 8.96 | Binding affinity against cloned human muscarinic acetylcholine receptor M2. | 15026073 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026073 | 10.1016/j.bmcl.2004.01.033 | Muscarinic acetylcholine receptor M2 | 1 |
| 15026073 | 10.1016/j.bmcl.2004.01.033 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
| 15026073 | 10.1016/j.bmcl.2004.01.033 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
| 15026073 | 10.1016/j.bmcl.2004.01.033 | Muscarinic acetylcholine receptor M2 and M4 | 1 |
| 15026073 | 10.1016/j.bmcl.2004.01.033 | Muscarinic acetylcholine receptor M2 and M5 | 1 |
Data from ChEMBL 36 via Core Engine