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Compound Detail

CHEMBL63263

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CNc1ncnc2c1c(Br)cn2COCCO

Basic Information

ChEMBL ID CHEMBL63263
Phase Preclinical
Structure Type MOL
InChI Key CBDMPMSVGWTSLM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

301.1
MW (Da)
1.20
ALogP
6
HBA
2
HBD
72.2
PSA (Ų)
0.81
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 C10H13BrN4O2
MW 301.14
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.50

Literature References

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

Data from ChEMBL 36 via Core Engine