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Compound Detail

CHEMBL9735

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

Basic Information

ChEMBL ID CHEMBL9735
Phase Preclinical
Structure Type MOL
InChI Key JQWQQDDZJGLLET-PMACEKPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
1.84
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.68
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 C21H26N2O3
MW 354.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
2213822 10.1021/jm00172a002 Human immunodeficiency virus type 1 protease 1
1875332 10.1021/jm00112a001 Human immunodeficiency virus type 1 protease 1
8164249 10.1021/jm00034a001 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine