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Compound Detail

CHEMBL381572

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CCCCCCCCCCC#Cc1cc2cn(C)c(=O)nc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381572
Phase Preclinical
Structure Type MOL
InChI Key HBEGXJYPULKAEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.41
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.54
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 C19H26N2O2
MW 314.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
16392824 10.1021/jm050867d Human alphaherpesvirus 3 3
16392824 10.1021/jm050867d Human betaherpesvirus 5 2
16392824 10.1021/jm050867d HEL 2

Data from ChEMBL 36 via Core Engine