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Compound Detail

CHEMBL477401

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CCCCc1ccc(-c2ccc3c4c([nH]c3c2)-c2ccc(-c3nnn[nH]3)cc2CC4)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477401
Phase Preclinical
Structure Type MOL
InChI Key ATNSPSNGPPLIHZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
6.12
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25N5
MW 419.53
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.46

Activity Summary

EC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 6.92 6.92 119.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 119.0 nM 6.92 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