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Compound Detail

CHEMBL490586

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O=C(O)c1cc2c(cc1O)-c1[nH]c3c(F)ccc(C(F)(F)F)c3c1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490586
Phase Preclinical
Structure Type MOL
InChI Key VVXPIDMGMDCIEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.3
MW (Da)
4.50
ALogP
2
HBA
3
HBD
73.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11F4NO3
MW 365.28
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.07

Activity Summary

EC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.1 6.1 799.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 799.0 nM 6.1 Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as act... 18778936

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