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Compound Detail

CHEMBL5828252

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Cc1cc(C#N)cc(Oc2ccc(S(=O)(=O)CF)c3c2CC(F)(F)[C@H]3O)c1

Basic Information

ChEMBL ID CHEMBL5828252
Phase Preclinical
Structure Type MOL
InChI Key NXLSWZAOELUGKY-KRWDZBQOSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
3.58
ALogP
5
HBA
1
HBD
87.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14F3NO4S
MW 397.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.56

Activity Summary

EC50 3 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor A, long form
CHEMBL1783
EC50 7.16 7.16 70.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine