Compound Detail
CHEMBL333197
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CCC(c1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1)c1c(O)oc2ccccc2c1=O
Basic Information
| ChEMBL ID | CHEMBL333197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZCVXRDEIPEXJM-QWAKEFERSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
5.38
ALogP
6
HBA
2
HBD
109.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 3600.0 | nM | 5.44 | Ability to inhibit HIV protease purified and refolded from Escherichia coli incl... | 7658450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658450 | 10.1021/jm00018a023 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine