Compound Detail
CHEMBL326386
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CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)[C@H](O)[C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL326386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHXMNIYXDTYJRJ-FBLDLFPLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
610.8
MW (Da)
1.98
ALogP
6
HBA
6
HBD
156.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 6.95 | 6.95 | 112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 112.0 | nM | 6.95 | Inhibitory activity against HIV-1 protease (Escherichia coli) | 11585446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585446 | 10.1021/jm0011171 | MT4 | 2 |
| 11585446 | 10.1021/jm0011171 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine