Compound Detail
CHEMBL4211510
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CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)ccc1O)C(C)C.Cl
Basic Information
| ChEMBL ID | CHEMBL4211510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCTGFUZNAPIXCK-FYQWNKFKSA-N |
| Parent Compound | CHEMBL4301652 |
| Active Moiety | CHEMBL4301652 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
936.2
MW (Da)
4.90
ALogP
14
HBA
4
HBD
185.0
PSA (Ų)
0.07
QED
2
Ro5 Violations
45
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.88 | 7.88 | 13.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 13.18 | nM | 7.88 | Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain hom... | 29652494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29652494 | 10.1021/acs.jmedchem.8b00041 | Muscarinic acetylcholine receptor | 4 |
Data from ChEMBL 36 via Core Engine