Compound Detail
CHEMBL331618
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Basic Information
| ChEMBL ID | CHEMBL331618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOYPQZASFVMBOQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.04
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 6.46 | 6.46 | 350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 350.0 | nM | 6.46 | Ability to inhibit HIV protease purified and refolded from Escherichia coli incl... | 7658450 |
| Human immunodeficiency virus type 1 protease | Ki | = | 350.0 | nM | 6.46 | Binding affinity to HIV-1 protease assessed as inhibition constant | 27484512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658450 | 10.1021/jm00018a023 | Human immunodeficiency virus type 1 protease | 1 |
| 27484512 | 10.1016/j.ejmech.2016.07.056 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine