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Compound Detail

CHEMBL9417

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N[C@@H](Cc1ccccc1)C(O)[C@@H](N)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL9417
Phase Preclinical
Structure Type MOL
InChI Key GZBLEJZADHZBBZ-HOTGVXAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
1.49
ALogP
3
HBA
3
HBD
72.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O
MW 270.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
8164249 10.1021/jm00034a001 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine