Compound Detail
CHEMBL73875
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CCCC[C@H](CN[C@H](CCCC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL73875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQPXOVRKKPPKFZ-UARQTHDVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
770.0
MW (Da)
-2.00
ALogP
10
HBA
11
HBD
328.3
PSA (Ų)
0.02
QED
2
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 0.78 | nM | 9.11 | The compound was tested for its affinity against HIV-1 protease | 1875332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875332 | 10.1021/jm00112a001 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine