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Compound Detail

CHEMBL6007395

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N#Cc1ccc(Oc2cc(F)cc(F)c2)c2c1[C@H](O)C(F)(F)C2

Basic Information

ChEMBL ID CHEMBL6007395
Phase Preclinical
Structure Type MOL
InChI Key VFWAPDLZSGWLMD-HNNXBMFYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.2
MW (Da)
3.85
ALogP
3
HBA
1
HBD
53.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9F4NO2
MW 323.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.51

Activity Summary

EC50 2 meas. best 6.66
IC50 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
IC50 7.46 7.46 35.0 1
Vascular endothelial growth factor A, long form
CHEMBL1783
EC50 6.66 6.66 220.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine