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Compound Detail

CHEMBL1528965

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O=C(/C=C/c1cccs1)NC(=S)NNC(=O)Cc1cccs1

Basic Information

ChEMBL ID CHEMBL1528965
Phase Preclinical
Structure Type MOL
InChI Key ODILODLODUIYTH-AATRIKPKSA-N
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
2.09
ALogP
5
HBA
3
HBD
70.2
PSA (Ų)
0.45
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 C14H13N3O2S3
MW 351.48
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.70

Activity Summary

EC50 3 meas. best 5.7
IC50 1 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.7 5.7 2007.0 1
Streptokinase A
CHEMBL1293228
EC50 5.59 5.59 2555.0 1
Streptococcus
CHEMBL612313
EC50 5.22 5.22 5992.0 1
Unchecked
CHEMBL612545
IC50 4.43 4.43 36968.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine