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Compound Detail

CHEMBL6053931

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N#Cc1cncc(Oc2ccc(S(=O)(=O)C(F)(F)F)c3c2C[C@@H](F)[C@H]3O)c1

Basic Information

ChEMBL ID CHEMBL6053931
Phase Preclinical
Structure Type MOL
InChI Key UNZPZWJTXKKTEH-IAQYHMDHSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.3
MW (Da)
2.97
ALogP
6
HBA
1
HBD
100.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10F4N2O4S
MW 402.33
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.77

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 69.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine