Compound Detail
CHEMBL393719
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Basic Information
| ChEMBL ID | CHEMBL393719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOOZSXQWGPLESR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
1.73
ALogP
4
HBA
1
HBD
86.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 520.0 | nM | 6.28 | Antiviral activity against HIV1 pseudovirus in U87 cells expressing CD4 and CCR5... | 18052117 |
| Unchecked | IC50 | = | 520.0 | nM | 6.28 | Inhibition of HIV-1 gp120-CD4 (unknown origin) interaction | 23777826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052117 | 10.1021/jm070650e | Human immunodeficiency virus 1 | 1 |
| 18052117 | 10.1021/jm070650e | ADMET | 1 |
| 23777826 | 10.1016/j.bmc.2013.05.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine