Compound Detail
CHEMBL4073268
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Basic Information
| ChEMBL ID | CHEMBL4073268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZUGHQWNFSZLLP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.2
MW (Da)
-0.81
ALogP
7
HBA
4
HBD
156.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against HIV-1 infected in human MT4 cells measured on day 5 p... | 28682067 |
| Human immunodeficiency virus 2 | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against HIV-2 infected in human MT4 cells measured on day 5 p... | 28682067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human immunodeficiency virus 1 | 1 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine