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Compound Detail

CHEMBL422671

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CC(C)(C)NC(=O)[C@@H]1CCCC1NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL422671
Phase Preclinical
Structure Type MOL
InChI Key NDFLKJAJJCUUCZ-FSBVDMTNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
3.16
ALogP
5
HBA
4
HBD
99.7
PSA (Ų)
0.49
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 C25H41N3O4
MW 447.62
Aromatic Rings 1
Heavy Atoms 32

Literature References

PubMed DOI Target Context # Activities
12459011 10.1021/jm0208370 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine