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Compound Detail

CHEMBL5028764

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O=c1ccc2c(C(O)CNCCCc3cccc(C(F)(F)F)c3)ccc(O)c2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028764
Phase Preclinical
Structure Type MOL
InChI Key UVUIHCZGLRCPRF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
3.51
ALogP
4
HBA
4
HBD
85.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F3N2O3
MW 406.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine