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

CHEMBL4167600

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=S(=O)(c1ccc(Oc2cc(F)cc(Cl)c2)c(C(F)F)c1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4167600
Phase Preclinical
Structure Type MOL
InChI Key YFYNWXCRDHBCSY-UHFFFAOYSA-N
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.7
MW (Da)
5.50
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.63
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 C14H7ClF6O3S
MW 404.71
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.44

Activity Summary

EC50 4 meas. best 6.62
IC50 2 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
 IC50 7.42 7.04 38.0 2
Endothelial PAS domain-containing protein 1
CHEMBL1744522
 EC50 6.62 6.62 240.0 1
Vascular endothelial growth factor A, long form
CHEMBL1783
 EC50 6.4 6.4 400.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endothelial PAS domain-containing protein 1 IC50 = 38.0 nM 7.42 Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10... -
Endothelial PAS domain-containing protein 1 IC50 = 220.0 nM 6.66 Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 ... 30289716
Endothelial PAS domain-containing protein 1 EC50 = 240.0 nM 6.62 Antagonist activity at HIF-2alpha in human 786-O cells co-expressing HIF respons... 30289716
Vascular endothelial growth factor A, long form EC50 = 400.0 nM 6.4 ELISA Assay: Four hours later, serial dilutions of 10× compound stocks were made... -
Vascular endothelial growth factor A, long form EC50 = 400.0 nM 6.4 ELISA Assay: About 7500 of 786-0 cells in 180 μL of growth medium were seeded in... -
Vascular endothelial growth factor A, long form EC50 = 400.0 nM 6.4 ELISA Assay: VEGF: Four hours later, serial dilutions of 10x compound stocks wer... -

Literature References

PubMed DOI Target Context # Activities
30289716 10.1021/acs.jmedchem.8b01196 Endothelial PAS domain-containing protein 1 2

Data from ChEMBL 36 via Core Engine