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Compound Detail

CHEMBL4170092

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FC(F)(F)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170092
Phase Preclinical
Structure Type MOL
InChI Key NZOIPNONUUYVTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.07
ALogP
5
HBA
0
HBD
36.7
PSA (Ų)
0.72
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 C18H18F3N5
MW 361.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.94

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