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Compound Detail

CHEMBL4163790

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FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163790
Phase Preclinical
Structure Type MOL
InChI Key YIGORBTYHVKQHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.81
ALogP
4
HBA
1
HBD
48.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20F3N5
MW 387.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.05

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