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Compound Detail

CHEMBL1528266

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O=[N+]([O-])c1ccccc1NCCNc1ncc(C(F)(F)F)cc1Cl

Basic Information

ChEMBL ID CHEMBL1528266
Phase Preclinical
Structure Type MOL
InChI Key IBIFWURDGNEUJG-UHFFFAOYSA-N
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.7
MW (Da)
4.19
ALogP
5
HBA
2
HBD
80.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12ClF3N4O2
MW 360.72
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.23

Activity Summary

EC50 2 meas. best 5.25
IC50 2 meas. best 4.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 5.25 5.12 5570.0 2
Epstein-Barr nuclear antigen 1
CHEMBL1293281
IC50 4.78 4.78 16774.0 1
Lytic switch protein BZLF1
CHEMBL1293280
IC50 4.63 4.63 23504.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine