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Compound Detail

CHEMBL3086934

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CC(C(=O)NCCCNC(=O)C(C)c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3086934
Phase Preclinical
Structure Type MOL
InChI Key AMBBELZWTDQXSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.22
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.73
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 C21H26N2O2
MW 338.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
24177358 10.1016/j.ejmech.2013.09.055 Huh-7 1
24177358 10.1016/j.ejmech.2013.09.055 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine