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Compound Detail

CHEMBL4066445

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N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066445
Phase Preclinical
Structure Type MOL
InChI Key ALHYPEUUCNXAQD-LTGWCKQJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
-0.88
ALogP
8
HBA
3
HBD
129.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12FN5O3
MW 293.26
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
28124907 10.1021/acs.jmedchem.6b01594 Human orthopneumovirus 1
28124907 10.1021/acs.jmedchem.6b01594 Hepatitis C virus 1
28124907 10.1021/acs.jmedchem.6b01594 Huh-7 1
28124907 10.1021/acs.jmedchem.6b01594 MT4 1

Data from ChEMBL 36 via Core Engine