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Compound Detail

CHEMBL4172554

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Cc1cnc(C(=O)NCCNc2ncccc2C(F)(F)F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4172554
Phase Preclinical
Structure Type MOL
InChI Key BCCBHPZUNYYRBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
2.04
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.82
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 C14H14F3N5O
MW 325.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.85

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