Compound Detail
CHEMBL288239
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Basic Information
| ChEMBL ID | CHEMBL288239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVTFTTYZDSKPMS-UBFVSLLYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.19
ALogP
2
HBA
2
HBD
52.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 7.18 | 7.18 | 66.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 66.0 | nM | 7.18 | Inhibition constant of HIV protease inhibitors | 9888839 |
| Human immunodeficiency virus type 1 protease | Ki | = | 66.07 | nM | 7.18 | Inhibitory activity against HIV-1 protease | 11831910 |
| Human immunodeficiency virus type 1 protease | Ki | = | 66.0 | nM | 7.18 | Compound was tested for the inhibitory activity against HIV-protease | - |
| Human immunodeficiency virus type 1 protease | Ki | = | 66.07 | nM | 7.18 | Inhibitory activity of compound against HIV-1 aspartyl protease. | 12419382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9888839 | 10.1021/jm9803626 | Human immunodeficiency virus type 1 protease | 1 |
| 11831910 | 10.1021/jm010417v | Human immunodeficiency virus type 1 protease | 1 |
| - | 10.1016/S0960-894X(97)00007-3 | Human immunodeficiency virus type 1 protease | 1 |
| 12419382 | 10.1016/s0960-894x(02)00741-2 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine