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Compound Detail

CHEMBL3144664

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Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12

Basic Information

ChEMBL ID CHEMBL3144664
Phase Preclinical
Structure Type MOL
InChI Key CYXDGGFETIXHCO-WCWDXBQESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

493.3
MW (Da)
5.30
ALogP
7
HBA
3
HBD
137.1
PSA (Ų)
0.26
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 C20H14Cl2N4O5S
MW 493.33
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.86

Activity Summary

EC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.3 7.3 50.0 1
Thrombopoietin receptor
CHEMBL1864
EC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine