Compound Detail
CHEMBL133993
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CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN
Basic Information
| ChEMBL ID | CHEMBL133993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOOSERZIXIKEMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
901.1
MW (Da)
7.28
ALogP
10
HBA
3
HBD
194.5
PSA (Ų)
0.06
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 5.25 | 5.25 | 5623.4 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.14 | 5.14 | 7244.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 5623.41 | nM | 5.25 | Antagonist affinity evaluated against Muscarinic acetylcholine receptor M2 in is... | 9767650 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 7244.36 | nM | 5.14 | 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