Compound Detail
CHEMBL33829
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Basic Information
| ChEMBL ID | CHEMBL33829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMELFROOXUXFER-BDXSIMOUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
1.24
ALogP
3
HBA
4
HBD
81.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 6.57 | 6.57 | 267.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 267.0 | nM | 6.57 | Binding affinity for HIV-1 protease enzyme was measured by using fluorescent pep... | 9554878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554878 | 10.1021/jm970524i | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine