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Compound Detail

CHEMBL479083

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CCCOc1cccc(-c2ccc3c4c([nH]c3c2)-c2cc(O)c(C(=O)O)cc2CC4)c1

Basic Information

ChEMBL ID CHEMBL479083
Phase Preclinical
Structure Type MOL
InChI Key DBNZSOVQWQLTIB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
5.79
ALogP
3
HBA
3
HBD
82.5
PSA (Ų)
0.39
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 C26H23NO4
MW 413.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.13

Activity Summary

EC50 1 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
EC50 7.37 7.37 43.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18778936 10.1016/j.bmcl.2008.08.068 Thrombopoietin receptor 2

Data from ChEMBL 36 via Core Engine