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Compound Detail

CHEMBL1900041

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O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1900041
Phase Preclinical
Structure Type MOL
InChI Key XVYZVHBKSYWRJV-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.3
MW (Da)
5.38
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17BrN2O
MW 417.31
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine