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Compound Detail

CHEMBL4104614

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CC(C)(C)NC(=O)Nc1ncccc1OCc1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4104614
Phase Preclinical
Structure Type MOL
InChI Key JDIPNDGYSHYUHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
3.72
ALogP
3
HBA
2
HBD
63.2
PSA (Ų)
0.90
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 C17H20FN3O2
MW 317.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
28152427 10.1016/j.ejmech.2016.12.057 N2a 4
28152427 10.1016/j.ejmech.2016.12.057 Peptidyl-prolyl cis-trans isomerase F, mitochondrial 3

Data from ChEMBL 36 via Core Engine