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Compound Detail

CHEMBL522391

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Cc1cc(-c2ccc3c4c([nH]c3c2F)-c2ccc(C(N)=O)cc2C4)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522391
Phase Preclinical
Structure Type MOL
InChI Key STMUBVGRMUFAPQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
5.09
ALogP
1
HBA
2
HBD
58.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16F2N2O
MW 374.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.71

Activity Summary

EC50 1 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.56 6.56 277.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 277.0 nM 6.56 Agonist activity at human thrombopoietin receptor expressed in mouse Ba/F3 cells... 18783949

Literature References

PubMed DOI Target Context # Activities
18783949 10.1016/j.bmcl.2008.08.077 Thrombopoietin receptor 2

Data from ChEMBL 36 via Core Engine