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Compound Detail

CHEMBL117244

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CCOCn1cc(C(=N)S)c2c(OCC)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117244
Phase Preclinical
Structure Type MOL
InChI Key OGWZMQRUQACYFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
2.08
ALogP
6
HBA
2
HBD
73.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N4O2S
MW 280.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.95

Literature References

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

Data from ChEMBL 36 via Core Engine