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Compound Detail

CHEMBL496755

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CCCCc1ccc(-c2ccc3c(C)c(-c4ccc(C(=O)O)c(O)c4)[nH]c3c2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496755
Phase Preclinical
Structure Type MOL
InChI Key BDYIBXJRPKJJNK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
6.70
ALogP
2
HBA
3
HBD
73.3
PSA (Ų)
0.33
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 C26H24FNO3
MW 417.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.01

Activity Summary

EC50 1 meas. best 6.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.94 6.94 116.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 116.0 nM 6.94 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