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Compound Detail

CHEMBL3144790

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Cc1ccc(-n2[nH]c(-c3ccccc3)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1C

Basic Information

ChEMBL ID CHEMBL3144790
Phase Preclinical
Structure Type MOL
InChI Key CBQIATZZIJUXJE-ZQHSETAFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.6
MW (Da)
5.97
ALogP
7
HBA
3
HBD
137.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N4O5S
MW 514.56
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.64

Activity Summary

EC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
EC50 6.05 6.05 900.0 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