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Compound Detail

CHEMBL333549

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CCNc1ncnc2c1c(C#N)cn2COCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL333549
Phase Preclinical
Structure Type MOL
InChI Key UMVMWSWTTHONLZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
1.73
ALogP
6
HBA
1
HBD
75.8
PSA (Ų)
0.87
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 C12H15N5O
MW 245.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.33

Literature References

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

Data from ChEMBL 36 via Core Engine