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Compound Detail

CHEMBL409092

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O=C(Nc1nc2c(s1)COc1c(Cl)cccc1-2)c1ccc(Nc2ccncn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL409092
Phase Preclinical
Structure Type MOL
InChI Key GDIKDJYGXBIFOF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.9
MW (Da)
5.14
ALogP
7
HBA
2
HBD
89.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14ClN5O2S
MW 435.90
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.85

Activity Summary

EC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.28 6.28 530.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 530.0 nM 6.28 Agonist activity at TPO receptor 18396041

Literature References

PubMed DOI Target Context # Activities
18396041 10.1016/j.bmcl.2008.03.052 Thrombopoietin receptor 1

Data from ChEMBL 36 via Core Engine