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Compound Detail

CHEMBL1548928

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COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OS(C)(=O)=O)ccc2C1=O

Basic Information

ChEMBL ID CHEMBL1548928
Phase Preclinical
Structure Type MOL
InChI Key RZAYTPMYGDZHGH-LSCVHKIXSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
2.67
ALogP
8
HBA
0
HBD
97.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H18O8S
MW 406.41
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.31

Activity Summary

IC50 2 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL4471
IC50 6.33 6.33 468.0 1
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 5.36 5.36 4350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine