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Compound Detail

CHEMBL62215

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CNc1ncnc2c1c(Br)cn2COC(CO)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62215
Phase Preclinical
Structure Type MOL
InChI Key MHHPGTJMOTUNNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

331.2
MW (Da)
0.56
ALogP
7
HBA
3
HBD
92.4
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 C11H15BrN4O3
MW 331.17
Aromatic Rings 2
Heavy Atoms 19

Literature References

PubMed DOI Target Context # Activities
2163454 10.1021/jm00169a028 ADMET 2
2163454 10.1021/jm00169a028 L1210 1
2163454 10.1021/jm00169a028 Human betaherpesvirus 5 1
2163454 10.1021/jm00169a028 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine