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Compound Detail

CHEMBL477195

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CCCCc1ccc(-c2ccc3c4c([nH]c3c2)-c2ccc(C(=O)O)cc2CC4)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477195
Phase Preclinical
Structure Type MOL
InChI Key ZOVZYPPEVXLPOY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
6.64
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.40
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 C27H25NO2
MW 395.50
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.17

Activity Summary

EC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.96 6.96 111.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 111.0 nM 6.96 Agonist activity at human thrombopoietin receptor expressed in mouse Ba/F3 cells... 18783949
Thrombopoietin receptor EC50 = 111.0 nM 6.96 Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as act... 18778936

Literature References

PubMed DOI Target Context # Activities
18783949 10.1016/j.bmcl.2008.08.077 Thrombopoietin receptor 2
18778936 10.1016/j.bmcl.2008.08.068 Thrombopoietin receptor 2

Data from ChEMBL 36 via Core Engine