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Compound Detail

CHEMBL5886427

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N#Cc1cncc(Oc2ccc(C(F)(F)F)c3c2CC(F)(F)[C@H]3O)c1

Basic Information

ChEMBL ID CHEMBL5886427
Phase Preclinical
Structure Type MOL
InChI Key BAJRWAVWZWWAKX-AWEZNQCLSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.2
MW (Da)
3.99
ALogP
4
HBA
1
HBD
66.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9F5N2O2
MW 356.25
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.58

Activity Summary

EC50 3 meas. best 7.19
IC50 1 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
IC50 7.43 7.43 37.0 1
Vascular endothelial growth factor A, long form
CHEMBL1783
EC50 7.19 7.19 64.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine