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Compound Detail

CHEMBL3145315

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Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1

Basic Information

ChEMBL ID CHEMBL3145315
Phase Preclinical
Structure Type MOL
InChI Key GLSRWGJULBVUTE-LPYMAVHISA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
3.48
ALogP
7
HBA
2
HBD
109.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N5O3S2
MW 439.52
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.96

Activity Summary

IC50 2 meas. best 4.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.12 4.12 75976.0 1
Unchecked
CHEMBL612545
IC50 4.07 4.07 84729.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine