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Compound Detail

CHEMBL1422105

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Cc1cccc(NC(=O)C2SC(Nc3c(C)cccc3C)=C(C(=O)N3CCOCC3)C2=N)c1

Basic Information

ChEMBL ID CHEMBL1422105
Phase Preclinical
Structure Type MOL
InChI Key FEKKWERVLUQMGF-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
3.87
ALogP
6
HBA
3
HBD
94.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N4O3S
MW 464.59
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.33

Activity Summary

EC50 5 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.02 6.02 959.0 1
Streptokinase A
CHEMBL1293228
EC50 5.79 5.6267 1606.0 3
Streptococcus
CHEMBL612313
EC50 5.37 5.37 4320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine