Compound Detail
CHEMBL419252
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Basic Information
| ChEMBL ID | CHEMBL419252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRJLZMFDVXVMSJ-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.3
MW (Da)
4.36
ALogP
7
HBA
2
HBD
95.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.21 | 6.89 | 6.2 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 6.2 | nM | 8.21 | Inhibitory activity against LAI strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 62.8 | nM | 7.2 | Inhibitory activity against 181C strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 82.0 | nM | 7.09 | Inhibitory activity against 103N strain of HIV-I in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 804.0 | nM | 6.09 | Inhibitory activity against 188L strain of HIV-1 in MT-4 cell was determined | 11527704 |
| Human immunodeficiency virus 1 | IC50 | = | 1380.0 | nM | 5.86 | Inhibitory activity against 100I strain of HIV-I in MT-4 cell was determined | 11527704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527704 | 10.1016/s0960-894x(01)00411-5 | Human immunodeficiency virus 1 | 5 |
Data from ChEMBL 36 via Core Engine