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Compound Detail

CHEMBL1471371

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CC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1

Basic Information

ChEMBL ID CHEMBL1471371
Phase Preclinical
Structure Type MOL
InChI Key VCAFBCCJZFWGQQ-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
5.14
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.67
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2OS
MW 324.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.94

Activity Summary

EC50 4 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 5.0 4.915 9994.0 2
Streptococcus sp. 'group A'
CHEMBL612389
EC50 4.86 4.86 13825.0 1
Streptococcus
CHEMBL612313
EC50 4.54 4.54 28499.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine