Compound Detail
CHEMBL146361
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C[C@@H]1CC[C@@H](O)[C@H]1N1CC[C@@](Cc2ccccc2)(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O
Basic Information
| ChEMBL ID | CHEMBL146361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOAJMQHXXJTFOK-GNTRJKDVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
4.49
ALogP
5
HBA
3
HBD
99.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 14.0 | nM | 7.85 | Compound was tested for inhibitory activity against Human immunodeficiency virus... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)80025-1 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine