Compound Detail
CHEMBL76135
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
C[C@@]12CCN(Cc3ccccc3)C1N(Cc1ccccc1)c1ccc(OC(=O)Nc3ccccc3)cc12
Basic Information
| ChEMBL ID | CHEMBL76135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWDUYDXEHWHZTJ-AUPVMFHISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
6.81
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 6.29 | 6.29 | 513.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.39 | 4.39 | 41130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 513.0 | nM | 6.29 | Anticholinesterase activity against plasma Butyrylcholinesterase (BChE) in human... | 9632370 |
| Acetylcholinesterase | IC50 | = | 41130.0 | nM | 4.39 | Anticholinesterase activity against erythrocyte acetylcholinesterase (AChE) in h... | 9632370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9632370 | 10.1021/jm9800494 | Acetylcholinesterase | 1 |
| 9632370 | 10.1021/jm9800494 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine