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Compound Detail

CHEMBL153255

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Cc1cn(/C=C2\CC2(CO)CO)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153255
Phase Preclinical
Structure Type MOL
InChI Key CIYMTMDEMOEQHC-XBXARRHUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
-0.94
ALogP
5
HBA
3
HBD
95.3
PSA (Ų)
0.63
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 C11H14N2O4
MW 238.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.19

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14736238 10.1021/jm030316s Human betaherpesvirus 5 3
14736238 10.1021/jm030316s Human gammaherpesvirus 4 3
14736238 10.1021/jm030316s MEF 2
14736238 10.1021/jm030316s HFF 1
14736238 10.1021/jm030316s Human alphaherpesvirus 3 1
14736238 10.1021/jm030316s Hepatitis B virus 1
14736238 10.1021/jm030316s HepG2 1

Data from ChEMBL 36 via Core Engine