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Compound Detail

CHEMBL4168166

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O=C(Nc1ccn(CCc2ccncc2)n1)Nc1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168166
Phase Preclinical
Structure Type MOL
InChI Key VPIBGRKNFIUHEA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
3.44
ALogP
4
HBA
2
HBD
71.8
PSA (Ų)
0.75
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 C17H15F2N5O
MW 343.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.39

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