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Compound Detail

CHEMBL4176016

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O=C(Nc1ccncc1)c1ccn(COc2ccc(F)c(Cl)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176016
Phase Preclinical
Structure Type MOL
InChI Key RIZNDMCUOLQAMT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.8
MW (Da)
3.36
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.77
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 C16H12ClFN4O2
MW 346.75
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.61

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