Compound Detail
CHEMBL70271
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Basic Information
| ChEMBL ID | CHEMBL70271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOJXDRPTMGPTRD-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
363.9
MW (Da)
5.41
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.57 | 7.5557 | 2.7 | 7 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6800.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 900.0 | ng.hr.mL-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 2.7 | nM | 8.57 | Inhibitory activity against LAI strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 6.0 | nM | 8.22 | Inhibitory activity against 103N strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 17.0 | nM | 7.77 | Inhibitory activity against 100I strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 32.0 | nM | 7.5 | Inhibitory activity against 181C strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 34.0 | nM | 7.47 | Inhibitory activity against 188L strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 138.0 | nM | 6.86 | Inhibitory activity against 103N strain and 181C strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 319.0 | nM | 6.5 | 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 |
| 15771441 | 10.1021/jm049439i | ADMET | 2 |
| 15771441 | 10.1021/jm049439i | No relevant target | 1 |
| 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