Compound Detail
CHEMBL338756
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Basic Information
| ChEMBL ID | CHEMBL338756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOCFUHVKNYICNS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
4.25
ALogP
7
HBA
1
HBD
102.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 3.0 | nM | 8.52 | Inhibition of HIV-1 protease. | - |
| Human immunodeficiency virus 1 | IC50 | = | 20400.0 | nM | 4.69 | Antiviral activity against HIV-1 IIIB in H9 (human leukemia) cells. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00031-0 | Human immunodeficiency virus type 1 protease | 1 |
| - | 10.1016/S0960-894X(97)00031-0 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine