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Compound Detail

CHEMBL342269

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Nc1nc(N)c2c(F)cccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342269
Phase Preclinical
Structure Type MOL
InChI Key ZFIDHZVBIBPRBQ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
0.93
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7FN4
MW 178.17
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.40

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
2404122 10.1021/jm00163a067 Dihydrofolate reductase 3
2404122 10.1021/jm00163a067 No relevant target 2
2404122 10.1021/jm00163a067 Mus musculus 2
2404122 10.1021/jm00163a067 Staphylococcus aureus 1
2404122 10.1021/jm00163a067 Escherichia coli 1
22448770 10.1021/jm2015952 dengue virus type 2 1
22448770 10.1021/jm2015952 ADMET 1

Data from ChEMBL 36 via Core Engine