Compound Detail
CHEMBL124801
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COCCOc1ccc(OP(=O)(NC(C)C(=O)OC)OCC2C=CC(n3cc(C)c(=O)[nH]c3=O)O2)cc1
Basic Information
| ChEMBL ID | CHEMBL124801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYIAQWVAWDIKHQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
539.5
MW (Da)
1.68
ALogP
11
HBA
2
HBD
156.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 7.05 | 6.58 | 90.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 90.0 | nM | 7.05 | Concentration required to protect CEM cells against cytopathicity of HIV-1 by 50... | 10714505 |
| CCRF-CEM | EC50 | = | 340.0 | nM | 6.47 | Concentration required to protect CEM/TK- cells against cytopathicity of HIV-2 b... | 10714505 |
| CCRF-CEM | EC50 | = | 600.0 | nM | 6.22 | Concentration required to protect CEM cells against cytopathicity of HIV-2 by 50... | 10714505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10714505 | 10.1016/s0960-894x(99)00701-5 | CCRF-CEM | 4 |
| 10714505 | 10.1016/s0960-894x(99)00701-5 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine