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Compound Detail

CHEMBL4465809

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Nc1nc(N)c2c(OCc3ccc(S(=O)(=O)F)cc3)cccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4465809
Phase Preclinical
Structure Type MOL
InChI Key WGAWEZLNDVDEJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.03
ALogP
7
HBA
2
HBD
121.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13FN4O3S
MW 348.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
30565923 10.1021/acs.jmedchem.8b01153 m7GpppX diphosphatase 1

Data from ChEMBL 36 via Core Engine