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Compound Detail

CHEMBL3040202

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O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C(F)(F)F)nn(-c2ccccn2)c1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040202
Phase Preclinical
Structure Type MOL
InChI Key GNVFSPKLVLISEJ-GUFYHEMZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.4
MW (Da)
3.69
ALogP
6
HBA
3
HBD
108.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19F4N3O4
MW 465.40
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine