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Compound Detail

CHEMBL122504

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O=S(=O)(O)c1cc(O)c(/N=N/c2c(O)c(O)cc3ccccc23)c2ccccc12

Basic Information

ChEMBL ID CHEMBL122504
Phase Preclinical
Structure Type MOL
InChI Key MJYPVDIDQNLOSV-QURGRASLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
4.77
ALogP
7
HBA
4
HBD
139.8
PSA (Ų)
0.22
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14N2O6S
MW 410.41
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.06

Activity Summary

EC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
EC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11606138 10.1021/jm010283l Thrombopoietin receptor 2

Data from ChEMBL 36 via Core Engine