Compound Detail
CHEMBL74164
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Basic Information
| ChEMBL ID | CHEMBL74164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLDVDYWILWTVAG-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.63
ALogP
6
HBA
2
HBD
97.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 9.0 | 7.836 | 1.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibitory activity against LAI strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 3.4 | nM | 8.47 | Inhibitory activity against 103N strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 40.0 | nM | 7.4 | Inhibitory activity against 181C strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 63.0 | nM | 7.2 | Inhibitory activity against 100I strain of HIV-I in MT-4 cells | 11527705 |
| Human immunodeficiency virus 1 | IC50 | = | 77.0 | nM | 7.11 | Inhibitory activity against 188L 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 | 5 |
| 18457904 | 10.1016/j.ejmech.2008.03.021 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 11527705 | 10.1016/s0960-894x(01)00412-7 | MT4 | 2 |
| 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