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

CHEMBL2431512

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
CCOC(=O)C1=C(Nc2ccc(Br)cc2C)SCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2431512
Phase Preclinical
Structure Type MOL
InChI Key YTRJXBKZFADVIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

356.2
MW (Da)
3.26
ALogP
5
HBA
1
HBD
55.4
PSA (Ų)
0.66
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 C14H14BrNO3S
MW 356.24
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
24073986 10.1021/jm400938g Plasmodium falciparum 2
24073986 10.1021/jm400938g Dihydroorotate dehydrogenase (quinone), mitochondrial 1
24073986 10.1021/jm400938g Dihydroorotate dehydrogenase 1

Data from ChEMBL 36 via Core Engine