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Compound Detail

CHEMBL117107

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COCCOCn1cc(C#N)c2c(OC)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117107
Phase Preclinical
Structure Type MOL
InChI Key BFMRAZHALYJZPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
0.93
ALogP
7
HBA
0
HBD
82.2
PSA (Ų)
0.72
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 C12H14N4O3
MW 262.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.28

Literature References

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

Data from ChEMBL 36 via Core Engine