Compound Detail
CHEMBL4172794
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Basic Information
| ChEMBL ID | CHEMBL4172794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSKHKHDYBLAYFR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.7
MW (Da)
4.44
ALogP
4
HBA
2
HBD
30.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.49 | 6.49 | 325.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 325.0 | nM | 6.49 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 28826086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28826086 | 10.1016/j.ejmech.2017.08.027 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine