Compound Detail
CHEMBL134059
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COC(=O)CCCC=C(c1cc(F)c(OC)c(C(=O)OC)c1)c1cc(F)c(OC)c(C(=O)OC)c1
Basic Information
| ChEMBL ID | CHEMBL134059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWLIBLPXBNVZCW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
492.5
MW (Da)
4.33
ALogP
8
HBA
0
HBD
97.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 (RF/HAT ISOLATE) CHEMBL613498 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| CEM-SS CHEMBL614548 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 (RF/HAT ISOLATE) | EC50 | = | 1900.0 | nM | 5.72 | Inhibitory concentration for cytopathicity of HIV-1RF in CEM-SS cells | 11708913 |
| CEM-SS | EC50 | = | 1900.0 | nM | 5.72 | 50% inhibitory concentration for cytopathicity of HIV-1 RF in CEM-SS cells. | 10579849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708913 | 10.1021/jm010212m | CEM-SS | 2 |
| 11708913 | 10.1021/jm010212m | Human immunodeficiency virus type 1 (RF/HAT ISOLATE) | 1 |
| 10579849 | 10.1021/jm990343b | CEM-SS | 1 |
| 10579849 | 10.1021/jm990343b | CCRF-CEM | 1 |
| 10579849 | 10.1021/jm990343b | ADMET | 1 |
Data from ChEMBL 36 via Core Engine