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Compound Detail

CHEMBL199841

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

Basic Information

ChEMBL ID CHEMBL199841
Phase Preclinical
Structure Type MOL
InChI Key HWVFXMXQMHRNLM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
2.07
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2O2
MW 230.27
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.46

Activity Summary

EC50 2 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine