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Compound Detail

CHEMBL3144676

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Cc1[nH]n(-c2ccccn2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144676
Phase Preclinical
Structure Type MOL
InChI Key BERNIGYIKRSKPY-QURGRASLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
3.39
ALogP
8
HBA
3
HBD
150.0
PSA (Ų)
0.34
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 C19H15N5O5S
MW 425.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.80

Activity Summary

EC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 7000.0 nM 5.16 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