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Compound Detail

CHEMBL1470448

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CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1

Basic Information

ChEMBL ID CHEMBL1470448
Phase Preclinical
Structure Type MOL
InChI Key JPVJIVSMURSWGM-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
3.95
ALogP
6
HBA
1
HBD
105.4
PSA (Ų)
0.47
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 C22H17FN4O4S
MW 452.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.14

Activity Summary

EC50 3 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.8 6.8 159.0 1
Streptokinase A
CHEMBL1293228
EC50 6.65 6.65 225.0 1
Streptococcus
CHEMBL612313
EC50 5.53 5.53 2934.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine