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Compound Detail

CHEMBL134038

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CCC(C1=C(O)OC2CCCC2C1=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134038
Phase Preclinical
Structure Type MOL
InChI Key NJHLJPYFVBVEMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
3.72
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20O3
MW 272.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.64

Literature References

PubMed DOI Target Context # Activities
8831779 10.1021/jm960296c Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine