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Compound Detail

CHEMBL4173546

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CC(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173546
Phase Preclinical
Structure Type MOL
InChI Key CQCHYBMLDPKREX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
2.59
ALogP
4
HBA
1
HBD
69.3
PSA (Ų)
0.85
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 C17H17F3N4O2
MW 366.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.12

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