Compound Detail
CHEMBL71961
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CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N[C@H](C)NC(=O)OCc2ccccc2)C(C)C)Cc2ccc(cc2)OCCCNC1=O
Basic Information
| ChEMBL ID | CHEMBL71961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIXPSMLMQRKUFI-PKQOSAAKSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
772.9
MW (Da)
2.73
ALogP
9
HBA
7
HBD
196.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11206463 | 10.1016/s0960-894x(00)00641-7 | Human immunodeficiency virus type 1 protease | 9 |
| 11206463 | 10.1016/s0960-894x(00)00641-7 | Feline immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine