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Compound Detail

CHEMBL4116151

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C[N+](C)(C)CCc1cccc(OC(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116151
Phase Preclinical
Structure Type MOL
InChI Key KDMIFJXKTGBMOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.83
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.74
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 C12H17F3NO+
MW 248.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine