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

CHEMBL2348530

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
COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(F)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2348530
Phase Preclinical
Structure Type MOL
InChI Key NXNMRKDNMFTFHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.2
MW (Da)
4.43
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.67
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 C15H12BrF4NO4S
MW 458.23
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
23453841 10.1016/j.bmcl.2013.01.105 Urotensin-2 receptor 2

Data from ChEMBL 36 via Core Engine