Compound Detail
CHEMBL297319
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Basic Information
| ChEMBL ID | CHEMBL297319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCAWWPAPHSAUQZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
-1.29
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
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 |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.52 | 5.61 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 90.0 | nM | 7.05 | Tested in vitro for the antiviral assay in mitogen stimulated human peripheral b... | - |
| Human immunodeficiency virus 1 | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against HIV1 in human PBMC | 17485498 |
| Human immunodeficiency virus 1 | EC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against HIV1 in ATH8 cells | 17485498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80870-2 | ADMET | 2 |
| 17485498 | 10.1128/aac.01498-06 | Human immunodeficiency virus 1 | 2 |
| - | 10.1016/S0960-894X(01)80870-2 | Vero | 1 |
| - | 10.1016/S0960-894X(01)80870-2 | MT4 | 1 |
| - | 10.1016/S0960-894X(01)80870-2 | CCRF-CEM | 1 |
| - | 10.1016/0960-894X(95)00294-4 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine