Compound Detail
CHEMBL354897
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Basic Information
| ChEMBL ID | CHEMBL354897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARBHRDYKMSMMEU-ZCFIWIBFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
0.51
ALogP
3
HBA
1
HBD
61.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 6.16 | 6.16 | 694.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 694.0 | nM | 6.16 | Tested against S2-binding site of HIV-1 protease | 8464047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8464047 | 10.1021/jm00059a019 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine