Compound Detail
CHEMBL132926
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CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21
Basic Information
| ChEMBL ID | CHEMBL132926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFJGTBKZKWIXGN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
635.9
MW (Da)
6.58
ALogP
7
HBA
3
HBD
106.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 8.57 | 8.57 | 2.7 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 2.692 | nM | 8.57 | Antagonist affinity evaluated against Muscarinic acetylcholine receptor M2 in is... | 9767650 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 16.98 | nM | 7.77 | Antagonist affinity evaluated against Muscarinic acetylcholine receptor M3 in is... | 9767650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767650 | 10.1021/jm981038d | Muscarinic acetylcholine receptor M2 | 1 |
| 9767650 | 10.1021/jm981038d | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine