Compound Detail
CHEMBL70554
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Basic Information
| ChEMBL ID | CHEMBL70554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHXOCXBRWUNFFD-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
349.8
MW (Da)
5.11
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.68 | 7.3533 | 2.1 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 2.1 | nM | 8.68 | Inhibitory activity against LAI strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibitory activity against 103N strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibitory activity against 181C strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 115.0 | nM | 6.94 | Inhibitory activity against 188L strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 327.0 | nM | 6.49 | Inhibitory activity against 100I strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 401.0 | nM | 6.4 | Inhibitory activity against 103N strain and 181C 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