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

CHEMBL5933231

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
N#Cc1cc(Oc2ccc(S(=O)(=O)C(F)(F)F)c3c2CC(F)(F)[C@H]3O)ccc1F

Basic Information

ChEMBL ID CHEMBL5933231
Phase Preclinical
Structure Type MOL
InChI Key OOKKBJYYZOAWSU-HNNXBMFYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.3
MW (Da)
4.01
ALogP
5
HBA
1
HBD
87.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H9F6NO4S
MW 437.32
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.83

Activity Summary

EC50 3 meas. best 7.55
IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor A, long form
CHEMBL1783
EC50 7.55 7.55 28.0 3
Endothelial PAS domain-containing protein 1
CHEMBL1744522
IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine