Compound Detail
CHEMBL578053
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Cc1c(O)cccc1C(=O)N[C@@H](c1cc(-c2ccccc2)cs1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL578053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUZKQAXAXQCTOI-OPYHXEAWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
603.8
MW (Da)
6.06
ALogP
6
HBA
4
HBD
101.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protease CHEMBL2366517 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protease | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluo... | 20108932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20108932 | 10.1021/jm900846f | Protease | 1 |
Data from ChEMBL 36 via Core Engine