Compound Detail
CHEMBL3099499
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3c(NC(=O)CNC(=O)CC[C@H](NC(=O)CNC(=O)OCc4ccccc4)C(=O)N[C@@H](Cc4ccccc4)C(=O)OCc4ccccc4)cccc13)CCCC2
Basic Information
| ChEMBL ID | CHEMBL3099499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPHIQFCGKIKGSA-YQOHNZFASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1151.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Cholinesterase CHEMBL1914 | Ki | 7.21 | 7.21 | 61.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 5.02 | nM | 8.3 | Inhibition of human acetylcholine esterase | 24900626 |
| Cholinesterase | Ki | = | 61.77 | nM | 7.21 | Inhibition of human butyrylcholine esterase | 24900626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900626 | 10.1021/ml4002908 | Acetylcholinesterase | 2 |
| 24900626 | 10.1021/ml4002908 | Amyloid-beta precursor protein | 1 |
| 24900626 | 10.1021/ml4002908 | Unchecked | 1 |
| 24900626 | 10.1021/ml4002908 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine