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Compound Detail

CHEMBL3581776

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CCNc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]2F)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581776
Phase Preclinical
Structure Type MOL
InChI Key JIVVDZNKZVXBCQ-WYOJIJJFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
-0.10
ALogP
8
HBA
3
HBD
145.4
PSA (Ų)
0.39
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 C11H15FN6O4
MW 314.28
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
25905540 10.1021/jm5012963 Hepatitis B virus 1
25905540 10.1021/jm5012963 HepG2 2.2.15 1
32678592 10.1021/acs.jmedchem.0c00940 Human immunodeficiency virus 1 1
32678592 10.1021/acs.jmedchem.0c00940 HEK293 1

Data from ChEMBL 36 via Core Engine