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

CHEMBL3289147

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(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cc(Cl)ccc1OCCBr
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3289147
Phase Preclinical
Structure Type MOL
InChI Key KSZDVULNGSMGNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

442.7
MW (Da)
4.12
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.71
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 C17H13BrClNO4S
MW 442.72
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
24904966 10.1016/j.ejmech.2014.05.049 MCF7 1
24904966 10.1016/j.ejmech.2014.05.049 MDA-MB-231 1
24904966 10.1016/j.ejmech.2014.05.049 ASPC1 1
24904966 10.1016/j.ejmech.2014.05.049 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine