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Compound Detail

CHEMBL1545189

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Cc1c(Cl)cnn1CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12

Basic Information

ChEMBL ID CHEMBL1545189
Phase Preclinical
Structure Type MOL
InChI Key RPHMAQXEFYASJZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.9
MW (Da)
-0.10
ALogP
11
HBA
2
HBD
148.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17ClN8O4S2
MW 484.95
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.81

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 7.0 100.0 1
Streptococcus
CHEMBL612313
EC50 6.55 6.55 283.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine