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Compound Detail

CHEMBL3733351

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COc1cc(F)c(CNc2ncc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3733351
Phase Preclinical
Structure Type MOL
InChI Key OJVCSYNMLMXRSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
4.67
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.60
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 C20H15F4N3O3
MW 421.35
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine