Compound Detail
CHEMBL329491
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Basic Information
| ChEMBL ID | CHEMBL329491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLENKANPYVXVAP-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.4
MW (Da)
2.90
ALogP
10
HBA
1
HBD
123.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
EC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 7.19 | 7.19 | 65.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Cholinesterase CHEMBL2528 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 65.0 | nM | 7.19 | Anti-HIV-1 activity tested in human lymphocytic CEM cells | 15139762 |
| Cholinesterase | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity towards human butyrylcholinesterase | 15139762 |
| Cholinesterase | IC50 | = | 10500.0 | nM | 4.98 | Inhibitory activity towards mouse butyrylcholinesterase | 15139762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15139762 | 10.1021/jm031032a | Acetylcholinesterase | 3 |
| 15139762 | 10.1021/jm031032a | Cholinesterase | 2 |
| 15139762 | 10.1021/jm031032a | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine