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Compound Detail

CHEMBL305300

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COc1ncnc2c1ccn2COCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL305300
Phase Preclinical
Structure Type MOL
InChI Key MYXLXOVCSVHVDO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

223.2
MW (Da)
0.41
ALogP
6
HBA
1
HBD
69.4
PSA (Ų)
0.74
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 C10H13N3O3
MW 223.23
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
2846837 10.1021/jm00119a006 ADMET 2
2846837 10.1021/jm00119a006 Human betaherpesvirus 5 1
2846837 10.1021/jm00119a006 Human alphaherpesvirus 1 1
2846837 10.1021/jm00119a006 HFF 1

Data from ChEMBL 36 via Core Engine