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Compound Detail

CHEMBL1522288

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Cc1ccc(Cc2cnc(N3C(=N)SC(c4ccccc4)C3=O)s2)cc1

Basic Information

ChEMBL ID CHEMBL1522288
Phase Preclinical
Structure Type MOL
InChI Key KBJMZLCYLXHEOK-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
4.80
ALogP
5
HBA
1
HBD
57.0
PSA (Ų)
0.71
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 C20H17N3OS2
MW 379.51
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.05

Activity Summary

EC50 3 meas. best 6.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 6.98 6.98 105.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 6.74 6.74 181.0 1
Streptococcus
CHEMBL612313
EC50 5.29 5.29 5164.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine