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Compound Detail

CHEMBL116134

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CCCNc1ncnc2c1c(C#N)cn2COCCOC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116134
Phase Preclinical
Structure Type MOL
InChI Key ICKYATVBGTVDQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
1.75
ALogP
7
HBA
1
HBD
85.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19N5O2
MW 289.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.39

Literature References

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

Data from ChEMBL 36 via Core Engine