Compound Detail
CHEMBL3099498
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O=C(CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)NCC(=O)Nc1cccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc12)CCCC3
Basic Information
| ChEMBL ID | CHEMBL3099498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMKNIGFXBQZAKP-YQOHNZFASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1136.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Cholinesterase CHEMBL1914 | Ki | 7.39 | 7.39 | 40.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 1.92 | nM | 8.72 | Inhibition of human acetylcholine esterase | 24900626 |
| Cholinesterase | Ki | = | 40.9 | nM | 7.39 | Inhibition of human butyrylcholine esterase | 24900626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900626 | 10.1021/ml4002908 | Amyloid-beta precursor protein | 12 |
| 24900626 | 10.1021/ml4002908 | Acetylcholinesterase | 2 |
| 24900626 | 10.1021/ml4002908 | Unchecked | 1 |
| 24900626 | 10.1021/ml4002908 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine