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Compound Detail

CHEMBL3144668

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Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1c(O)cc(C(=O)O)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144668
Phase Preclinical
Structure Type MOL
InChI Key KAUVMRSQXIYVRJ-GHVJWSGMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
4.45
ALogP
6
HBA
3
HBD
120.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N4O4
MW 388.38
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.45

Activity Summary

EC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
 EC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 5000.0 nM 5.3 Effective concentration for thrombopoietin luciferase activity was determined in... 11606138

Literature References

PubMed DOI Target Context # Activities
11606138 10.1021/jm010283l Thrombopoietin receptor 2

Data from ChEMBL 36 via Core Engine