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Compound Detail

CHEMBL1483146

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CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2c(-c3ccccc3)noc2C)cc1

Basic Information

ChEMBL ID CHEMBL1483146
Phase Preclinical
Structure Type MOL
InChI Key KOPBROFJXFNMAV-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
3.39
ALogP
6
HBA
3
HBD
105.5
PSA (Ų)
0.40
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 C22H22N4O4S
MW 438.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.83

Activity Summary

EC50 3 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.86 6.86 137.0 1
Streptokinase A
CHEMBL1293228
EC50 6.56 6.56 274.0 1
Streptococcus
CHEMBL612313
EC50 6.22 6.22 596.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine