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Compound Detail

CHEMBL419945

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NC(=O)c1cc(C(O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419945
Phase Preclinical
Structure Type MOL
InChI Key RTXRHCDARJIGHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
2.37
ALogP
5
HBA
3
HBD
90.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22F3N3O3
MW 409.41
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.29

Data from ChEMBL 36 via Core Engine