Compound Detail
CHEMBL411936
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Basic Information
| ChEMBL ID | CHEMBL411936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSWAHIVYQGQNPY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
4.66
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.54 | 7.645 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2.85 | nM | 8.54 | Antiviral activity against HIV1 | 18284187 |
| Human immunodeficiency virus 1 | EC50 | = | 180.0 | nM | 6.75 | Antiviral activity against 100 TCID50 HIV1 infected in human TZM-b1 cells assess... | 20050672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18284187 | 10.1021/jm701405p | Human immunodeficiency virus 1 | 2 |
| 18284187 | 10.1021/jm701405p | ADMET | 1 |
| 20050672 | 10.1021/jm901653e | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine