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Compound Detail

CHEMBL1962725

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COc1ccc(-c2ncn(C)c2-c2cc(Br)c(OC)c(OC)c2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962725
Phase Preclinical
Structure Type MOL
InChI Key VMZOPGFJGGQILV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.3
MW (Da)
4.68
ALogP
5
HBA
0
HBD
45.5
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 C19H18BrFN2O3
MW 421.27
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine