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Compound Detail

CHEMBL331220

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O=C(O)c1cc2ccccc2c(/N=N/c2c(O)cc(S(=O)(=O)O)c3ccccc23)c1O

Basic Information

ChEMBL ID CHEMBL331220
Phase Preclinical
Structure Type MOL
InChI Key MVQBFZXBLLMXGS-GHVJWSGMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.4
MW (Da)
4.76
ALogP
7
HBA
4
HBD
156.8
PSA (Ų)
0.26
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14N2O7S
MW 438.42
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.02

Activity Summary

EC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
EC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 10000.0 nM 5.0 Effective concentration for thrombopoietin luciferase activity was determined in... 11606138

Literature References

PubMed DOI Target Context # Activities
11606138 10.1021/jm010283l Thrombopoietin receptor 2
30028141 10.1021/acs.jmedchem.8b00399 2-Hydroxyacid oxidase 1 2

Data from ChEMBL 36 via Core Engine