Compound Detail
CHEMBL355715
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CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(C)C)C(=O)NCc1ccccn1
Basic Information
| ChEMBL ID | CHEMBL355715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDJXAEYEVQHGII-WIGBTLJFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.7
MW (Da)
3.55
ALogP
5
HBA
4
HBD
117.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 800.0 | nM | 6.1 | Evaluated for inhibitory activity against HIV-1 protease | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80673-3 | Human immunodeficiency virus type 1 protease | 1 |
| - | 10.1016/S0960-894X(00)80673-3 | CV-1 | 1 |
Data from ChEMBL 36 via Core Engine