Compound Detail
CHEMBL182611
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O=C(c1ccccc1)N1C[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N1Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL182611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRSJYTMZDYBQTL-LOYHVIPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
4.57
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 11.0 | 11.0 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 0.01 | nM | 11.0 | Tested for inhibition of HIV protease | 15225729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225729 | 10.1016/j.bmcl.2004.05.036 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine