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Compound Detail

CHEMBL260846

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Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)cs1

Basic Information

ChEMBL ID CHEMBL260846
Phase Preclinical
Structure Type MOL
InChI Key KGPBNLSPHADRDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.2
MW (Da)
3.55
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6F4N2S
MW 262.23
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.92

Activity Summary

EC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 100.0 nM 7.0 Agonist activity at TPO receptor 18396041

Literature References

PubMed DOI Target Context # Activities
18396041 10.1016/j.bmcl.2008.03.052 Thrombopoietin receptor 1

Data from ChEMBL 36 via Core Engine