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Compound Detail

CHEMBL247642

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O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(Nc2ccncn2)cc1

Basic Information

ChEMBL ID CHEMBL247642
Phase Preclinical
Structure Type MOL
InChI Key IAPQCGYOOKRAMC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
4.87
ALogP
6
HBA
2
HBD
79.8
PSA (Ų)
0.49
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 C20H13F2N5OS
MW 409.42
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.40

Activity Summary

EC50 2 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
EC50 6.4 6.4 400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17707640 10.1016/j.bmcl.2007.07.038 Thrombopoietin receptor 3
17707640 10.1016/j.bmcl.2007.07.038 Erythropoietin receptor 1
17707640 10.1016/j.bmcl.2007.07.038 Granulocyte colony-stimulating factor receptor 1
18396041 10.1016/j.bmcl.2008.03.052 Thrombopoietin receptor 1

Data from ChEMBL 36 via Core Engine