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Compound Detail

CHEMBL5926974

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Cc1cc2c(-c3ccc(NS(=O)(=O)c4cc(Cl)cs4)cc3)ncnc2[nH]1

Basic Information

ChEMBL ID CHEMBL5926974
Phase Preclinical
Structure Type MOL
InChI Key JUYWLYRQKWZJOJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
4.45
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN4O2S2
MW 404.90
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.57

Activity Summary

Ki 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
Ki 6.3 5.78 500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine