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Compound Detail

CHEMBL1516396

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CC(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12)n1cc(Br)cn1

Basic Information

ChEMBL ID CHEMBL1516396
Phase Preclinical
Structure Type MOL
InChI Key QHXYHQDJQUOFOW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

529.4
MW (Da)
0.26
ALogP
11
HBA
2
HBD
148.1
PSA (Ų)
0.38
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17BrN8O4S2
MW 529.40
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.60

Activity Summary

EC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 7.0 7.0 101.0 1
Streptococcus
CHEMBL612313
EC50 6.9 6.9 125.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine