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Compound Detail

CHEMBL1306085

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COC(=O)CSc1[nH]c2ccc(F)cc2c1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL1306085
Phase Preclinical
Structure Type MOL
InChI Key HLNVLIYWSQDJAD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.48
ALogP
5
HBA
1
HBD
85.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9FN2O4S
MW 284.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.22

Activity Summary

EC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL5530
EC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine