Compound Detail
CHEMBL68878
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Basic Information
| ChEMBL ID | CHEMBL68878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQIIAWFMYCQACX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
247.2
MW (Da)
-0.42
ALogP
6
HBA
2
HBD
90.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 4.24 | 4.24 | 57700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 57700.0 | nM | 4.24 | Effect on HIV-induced cytopathogenesis in CEM cells. | 1351945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1351945 | 10.1021/jm00090a008 | ATH-8 cell line | 8 |
| 1351945 | 10.1021/jm00090a008 | CCRF-CEM | 2 |
| 2165161 | 10.1021/jm00170a015 | C8166 | 1 |
| 7520081 | 10.1021/jm00042a005 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 1351945 | 10.1021/jm00090a008 | No relevant target | 1 |
| 1351945 | 10.1021/jm00090a008 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine