Compound Detail
CHEMBL282887
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Basic Information
| ChEMBL ID | CHEMBL282887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUHLPIWBUWDPNP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1183161 |
| Active Moiety | CHEMBL1183161 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
1.86
ALogP
4
HBA
2
HBD
88.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 50000.0 | nM | 4.3 | Inhibitory activity against acetylcholinesterase as a prodrug was demonstarted | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80432-7 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine