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Compound Detail

CHEMBL4176909

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O=C(c1n[nH]c(=O)[nH]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176909
Phase Preclinical
Structure Type MOL
InChI Key UBEANCZMNRPGEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
0.47
ALogP
5
HBA
2
HBD
98.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13F3N6O2
MW 342.28
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.18

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