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Compound Detail

CHEMBL3144836

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Cc1[nH]n(-c2ccccc2[N+](=O)[O-])c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12

Basic Information

ChEMBL ID CHEMBL3144836
Phase Preclinical
Structure Type MOL
InChI Key UOQNOZCQSRSPSD-QURGRASLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.4
MW (Da)
3.90
ALogP
9
HBA
3
HBD
180.2
PSA (Ų)
0.17
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N5O7S
MW 469.44
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.73

Activity Summary

EC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
EC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine