Compound Detail
CHEMBL72205
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Basic Information
| ChEMBL ID | CHEMBL72205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGYGCEJXALZPEL-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.8
MW (Da)
5.03
ALogP
6
HBA
1
HBD
94.6
PSA (Ų)
0.69
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.85 | 7.9471 | 1.4 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 1.4 | nM | 8.85 | Inhibitory activity against LAI strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 2.6 | nM | 8.59 | Inhibitory activity against 103N strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 4.8 | nM | 8.32 | Inhibitory activity against 188L strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 7.5 | nM | 8.12 | Inhibitory activity against 100I strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 34.0 | nM | 7.47 | Inhibitory activity against 181C strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 38.0 | nM | 7.42 | Inhibitory activity against 103N strain and 181C strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 138.0 | nM | 6.86 | Inhibitory activity against 100I strain and 103N strain of HIV-I in MT-4 cells | 11527705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527705 | 10.1016/s0960-894x(01)00412-7 | Human immunodeficiency virus 1 | 7 |
| 18457904 | 10.1016/j.ejmech.2008.03.021 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 17583387 | 10.1016/j.ejmech.2007.04.005 | Unchecked | 1 |
| 17583387 | 10.1016/j.ejmech.2007.04.005 | No relevant target | 1 |
| 18457904 | 10.1016/j.ejmech.2008.03.021 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine