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Compound Detail

CHEMBL1789298

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COc1ccc2cc3[n+](cc2c1OC(=O)c1ccc(F)cc1F)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789298
Phase Preclinical
Structure Type MOL
InChI Key YLIJPHBUAXBCGD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
4.59
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.25
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18F2NO5+
MW 462.43
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine