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Compound Detail

CHEMBL498173

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CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2ccc(NC(=O)C(=O)O)cc2C4)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498173
Phase Preclinical
Structure Type MOL
InChI Key KBHMPAXRTWKCOT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
5.91
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23FN2O3
MW 442.49
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.45

Activity Summary

EC50 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 21.0 nM 7.68 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