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Compound Detail

CHEMBL497349

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CCCCc1ccc(-c2ccc3nc(-c4ccc(C(=O)O)c(O)c4)[nH]c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497349
Phase Preclinical
Structure Type MOL
InChI Key GSGINGQDLLWOPZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
5.64
ALogP
3
HBA
3
HBD
86.2
PSA (Ų)
0.40
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 C24H22N2O3
MW 386.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.33

Activity Summary

EC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.75 6.75 179.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 179.0 nM 6.75 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