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Compound Detail

CHEMBL1477713

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Cc1ccc(C)n1-c1sc2c(c1C#N)CCC(C)C2

Basic Information

ChEMBL ID CHEMBL1477713
Phase Preclinical
Structure Type MOL
InChI Key SYRFVXGIWAOXSC-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
4.15
ALogP
3
HBA
0
HBD
28.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2S
MW 270.40
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.64

Activity Summary

EC50 3 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptokinase A
CHEMBL1293228
EC50 5.63 5.235 2349.0 2
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.15 5.15 7141.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine