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Compound Detail

CHEMBL4068588

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O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4068588
Phase Preclinical
Structure Type MOL
InChI Key QZHNCQBIEYXDBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
4.56
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.89
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 C18H17F3N2O
MW 334.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
28407594 10.1016/j.ejmech.2017.03.078 HL-60 1
28407594 10.1016/j.ejmech.2017.03.078 Jurkat 1
28407594 10.1016/j.ejmech.2017.03.078 NALM-6 1

Data from ChEMBL 36 via Core Engine