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Compound Detail

CHEMBL325472

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COCCOCn1cc(C#N)c2cncnc21

Basic Information

ChEMBL ID CHEMBL325472
Phase Preclinical
Structure Type MOL
InChI Key LHGDBVQQFWLFRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
0.92
ALogP
6
HBA
0
HBD
73.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N4O2
MW 232.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
8784444 10.1021/jm950835y Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine