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Compound Detail

CHEMBL4166273

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Cn1cnnc1-c1cccc(NC(=O)Cc2cccc(F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4166273
Phase Preclinical
Structure Type MOL
InChI Key YHUNOKQQBDMOMV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
2.80
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15FN4O
MW 310.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29396363 10.1016/j.ejmech.2017.11.032 rRNA adenine N-6-methyltransferase 2
29396363 10.1016/j.ejmech.2017.11.032 Escherichia coli 1

Data from ChEMBL 36 via Core Engine