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Compound Detail

CHEMBL525533

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CCCCc1ccc(-c2ccc3cc(-c4ccc(C(=O)O)cc4)[nH]c3c2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL525533
Phase Preclinical
Structure Type MOL
InChI Key SVPPHEHZHDZTHC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
6.68
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22FNO2
MW 387.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.39

Activity Summary

EC50 1 meas. best 6.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.93 6.93 117.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 117.0 nM 6.93 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