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Compound Detail

CHEMBL4116565

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CN(C/C=C/c1ccc(Br)cc1)Cc1ccc2c(c1)OCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116565
Phase Preclinical
Structure Type MOL
InChI Key QJSXBBXSNSLJFB-DUXPYHPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.3
MW (Da)
4.92
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.74
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 C20H22BrNO
MW 372.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine