Compound Detail
CHEMBL36380
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Basic Information
| ChEMBL ID | CHEMBL36380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPADBRIUIALHNW-DNQXCXABSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
4.10
ALogP
2
HBA
1
HBD
43.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 8.6 | 7.11 | 2.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 2.5 | nM | 8.6 | Compound was tested for the inhibitory activity against HIV-protease | - |
| Human immunodeficiency virus type 1 protease | Ki | = | 2400.0 | nM | 5.62 | Inhibition constant of HIV protease inhibitors | 9888839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9888839 | 10.1021/jm9803626 | Human immunodeficiency virus type 1 protease | 1 |
| - | 10.1016/S0960-894X(97)00007-3 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine