Compound Detail
CHEMBL433371
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CCOC(=O)CC1OP(=O)(OCC2C=CC(n3cc(C)c(=O)[nH]c3=O)O2)Oc2cccc(Cl)c21
Basic Information
| ChEMBL ID | CHEMBL433371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOLJQHZMNWACNZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
512.8
MW (Da)
3.18
ALogP
10
HBA
1
HBD
135.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 140.0 | nM | 6.85 | Anti-HIV-1 activity tested in human lymphocytic CEM cells | 15139762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15139762 | 10.1021/jm031032a | Acetylcholinesterase | 1 |
| 15139762 | 10.1021/jm031032a | Cholinesterase | 1 |
| 15139762 | 10.1021/jm031032a | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine