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Compound Detail

CHEMBL3403748

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Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(C3CCOCC3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3403748
Phase Preclinical
Structure Type MOL
InChI Key ORKMNPFJFPXKCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
3.88
ALogP
4
HBA
1
HBD
55.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17F3N4O
MW 350.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
25690784 10.1016/j.bmcl.2015.01.063 Unchecked 2

Data from ChEMBL 36 via Core Engine