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Compound Detail

CHEMBL610642

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CNc1ncnc2c1c(Br)cn2C1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL610642
Phase Preclinical
Structure Type MOL
InChI Key JRADVRXGBGWSNP-PUXKXDTASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

359.2
MW (Da)
-0.15
ALogP
8
HBA
4
HBD
112.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15BrN4O4
MW 359.18
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.79

Literature References

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

Data from ChEMBL 36 via Core Engine