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Compound Detail

CHEMBL5859559

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CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(F)c2)c2c1C(O)C(F)(F)C2

Basic Information

ChEMBL ID CHEMBL5859559
Phase Preclinical
Structure Type MOL
InChI Key VXWDFTWHSVCGNA-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.92
ALogP
5
HBA
1
HBD
82.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12F4N2O3S
MW 400.35
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.51

Activity Summary

EC50 3 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor A, long form
CHEMBL1783
EC50 6.89 6.89 130.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine