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Compound Detail

CHEMBL123373

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COc1ccc2ccc(O)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123373
Phase Preclinical
Structure Type MOL
InChI Key BFBMBVAXYVNQLH-GHVJWSGMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
5.07
ALogP
7
HBA
3
HBD
128.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N2O6S
MW 424.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.12

Activity Summary

EC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 300.0 nM 6.52 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