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Compound Detail

CHEMBL492017

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Cc1cccc(C)c1-c1ccc2c3c([nH]c2c1)-c1cc(O)c(C(=O)O)cc1CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492017
Phase Preclinical
Structure Type MOL
InChI Key JKTYCBUCLGAIIJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
5.62
ALogP
2
HBA
3
HBD
73.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21NO3
MW 383.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.49

Activity Summary

EC50 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.63 6.63 232.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 232.0 nM 6.63 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