Compound Detail
CHEMBL304327
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COc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL304327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXOVWUYDWPEXBD-WZJLIZBTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
566.7
MW (Da)
5.09
ALogP
5
HBA
2
HBD
82.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 4.7 | nM | 8.33 | Inhibitory activity against HIV protease | 8667359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667359 | 10.1021/jm960083n | Human immunodeficiency virus type 1 protease | 2 |
| 8667359 | 10.1021/jm960083n | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine