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Compound Detail

CHEMBL3780433

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O=C1c2ccccc2C(=O)N1CNc1ccc(OC(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3780433
Phase Preclinical
Structure Type MOL
InChI Key CUUFEOPIRCVXGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
3.25
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.87
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 C16H11F3N2O3
MW 336.27
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00469A Ribosomal protein S6 kinase alpha-2 2

Data from ChEMBL 36 via Core Engine