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Compound Detail

CHEMBL1334568

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COc1ccc(Cl)cc1C(=O)NNC(=S)NC(=O)c1ccc(F)c(F)c1

Basic Information

ChEMBL ID CHEMBL1334568
Phase Preclinical
Structure Type MOL
InChI Key XUOWBMHCOFPKBB-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.8
MW (Da)
2.58
ALogP
4
HBA
3
HBD
79.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClF2N3O3S
MW 399.81
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.39

Activity Summary

EC50 3 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 6.86 6.86 139.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.66 6.66 217.0 1
Streptococcus
CHEMBL612313
EC50 5.86 5.86 1367.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine