Compound Detail
CHEMBL329012
ICOPEZIL MALEATE 🧪 Phase II
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
🧪 Phase II
O=C(O)/C=C\C(=O)O.O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1
Basic Information
| ChEMBL ID | CHEMBL329012 |
| Name | ICOPEZIL MALEATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CTYSKGVFLJLGGX-BTJKTKAUSA-N |
| Parent Compound | CHEMBL359570 |
| Active Moiety | CHEMBL359570 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
3
Known Names
Molecular Properties
375.5
MW (Da)
4.17
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 9.48 | 9.48 | 0.3 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 0.33 | nM | 9.48 | In vitro inhibition of Acetylcholinesterase from human erythrocytes | 7636841 |
| Cholinesterase | IC50 | = | 7200.0 | nM | 5.14 | In vitro inhibition of Butyrylcholinesterase from human erythrocytes | 7636841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636841 | 10.1021/jm00015a002 | Unchecked | 3 |
| 7636841 | 10.1021/jm00015a002 | Rattus norvegicus | 2 |
| 7636841 | 10.1021/jm00015a002 | Acetylcholinesterase | 1 |
| 7636841 | 10.1021/jm00015a002 | Cholinesterase | 1 |
| 7636841 | 10.1021/jm00015a002 | ADMET | 1 |
| 7636841 | 10.1021/jm00015a002 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine