Compound Detail
CHEMBL290912
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CCN(CC)CCOC(=O)C(C)(c1ccc(OC(=O)N(C)C)cc1)c1ccc(OC(=O)N(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL290912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLHGSWGTSDGUJR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
4.00
ALogP
7
HBA
0
HBD
88.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | Ki | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | Ki | = | 4600.0 | nM | 5.34 | Inhibition of anticholinesterase activity by their ability to inactivate human s... | 2738887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2738887 | 10.1021/jm00127a020 | Muscarinic acetylcholine receptor M2 | 3 |
| 2738887 | 10.1021/jm00127a020 | Cholinesterase | 2 |
| 2738887 | 10.1021/jm00127a020 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine