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Compound Detail

CHEMBL1617512

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Cc1ccc[n+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1617512
Phase Preclinical
Structure Type MOL
InChI Key OAVOVGZBIJJYTE-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
2.78
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.83
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 C19H21F3N3O2+
MW 380.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.83

Data from ChEMBL 36 via Core Engine