Compound Detail
CHEMBL1202003
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CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1202003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBISSPSHHZNLJI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL405739 |
| Active Moiety | CHEMBL405739 |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1121.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.36
Kd 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 9.7 | 9.7 | 0.2 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 9.36 | 9.36 | 0.4 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 9.02 | 9.02 | 1.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL317 | Ki | 7.38 | 7.38 | 41.7 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 7.35 | 7.35 | 44.7 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 6.96 | 6.96 | 109.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 0.1995 | nM | 9.7 | Antagonist affinity evaluated against Muscarinic acetylcholine receptor M2 in is... | 9767650 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.4365 | nM | 9.36 | Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2 | 9767650 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.955 | nM | 9.02 | Binding affinity for rat cortex Muscarinic acetylcholine receptor M1 | 9767650 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 41.69 | nM | 7.38 | Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4 | 9767650 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 44.67 | nM | 7.35 | Antagonist affinity evaluated against Muscarinic acetylcholine receptor M3 in is... | 9767650 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 109.65 | nM | 6.96 | Inhibition of [3H]NMS binding to rat submaxillary gland Muscarinic acetylcholine... | 9767650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767650 | 10.1021/jm981038d | Muscarinic acetylcholine receptor M2 | 2 |
| 9767650 | 10.1021/jm981038d | Muscarinic acetylcholine receptor M3 | 2 |
| 9767650 | 10.1021/jm981038d | Muscarinic acetylcholine receptor M1 | 1 |
| 9767650 | 10.1021/jm981038d | Muscarinic acetylcholine receptor M4 | 1 |
Data from ChEMBL 36 via Core Engine