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Compound Detail

CHEMBL1458456

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O=S(=O)(NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Br)cc1

Basic Information

ChEMBL ID CHEMBL1458456
Phase Preclinical
Structure Type MOL
InChI Key CUKWNEIPILAKJK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

543.5
MW (Da)
2.22
ALogP
7
HBA
4
HBD
142.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15BrN6O4S3
MW 543.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.93

Activity Summary

EC50 2 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-binding protein pos-1
CHEMBL1293304
EC50 5.53 5.53 2974.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 5.3 5.3 5037.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine