Compound Detail
CHEMBL609124
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N#CCCN(CCCCCCN(CCC#N)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
Basic Information
| ChEMBL ID | CHEMBL609124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVONJLKDCCOIRO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
596.7
MW (Da)
4.35
ALogP
8
HBA
0
HBD
128.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 6.13 | 6.13 | 739.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 739.61 | nM | 6.13 | Ability to dissociate radioligand [3H]NMS from muscarinic acetylcholine receptor... | 12672239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672239 | 10.1021/jm021077w | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine