Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL428035

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)c1ccc(C(=O)O)c2nc(/C=C/c3cccc(Br)c3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL428035
Phase Preclinical
Structure Type MOL
InChI Key RZMSRIDFVLSIFD-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.2
MW (Da)
4.56
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12BrNO4
MW 398.21
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
17142046 10.1016/j.bmc.2006.11.020 No relevant target 1
17142046 10.1016/j.bmc.2006.11.020 Unchecked 1
17142046 10.1016/j.bmc.2006.11.020 Chlorella vulgaris 1

Data from ChEMBL 36 via Core Engine