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Compound Detail

CHEMBL124367

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O=S(=O)(O)c1cc(O)c(/N=N/c2c(O)c3ccccc3c3ccccc23)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124367
Phase Preclinical
Structure Type MOL
InChI Key ZDOBEKNLUMBDCZ-OCEACIFDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
6.22
ALogP
6
HBA
3
HBD
119.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H16N2O5S
MW 444.47
Aromatic Rings 5
Heavy Atoms 32

Activity Summary

EC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 200.0 nM 6.7 Effective concentration for thrombopoietin luciferase activity was determined in... 11606138

Literature References

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

Data from ChEMBL 36 via Core Engine