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Compound Detail

CHEMBL4283567

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O=C(O)/C=C/c1cc(NS(=O)(=O)c2cccs2)c2c(c1O)OCO2

Basic Information

ChEMBL ID CHEMBL4283567
Phase Preclinical
Structure Type MOL
InChI Key ABILEPBVJUKRID-ONEGZZNKSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
2.08
ALogP
7
HBA
3
HBD
122.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11NO7S2
MW 369.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.76

Activity Summary

Kd 3 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Connector enhancer of kinase suppressor of ras 1
CHEMBL4296242
Kd 5.47 5.47 3370.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine