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Compound Detail

CHEMBL304732

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CC(C)C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@](O)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304732
Phase Preclinical
Structure Type MOL
InChI Key YCSRTJWGTJHQKF-LXWOLXCRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.7
MW (Da)
4.28
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H47N3O4
MW 489.70
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80071-2 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine