Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4169047

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(c1cn(-c2ccccc2)nn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169047
Phase Preclinical
Structure Type MOL
InChI Key FXXANOANPAIQCQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
2.64
ALogP
6
HBA
0
HBD
67.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17F3N6O
MW 402.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.66

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