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Compound Detail

CHEMBL4466405

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Cc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1C#N

Basic Information

ChEMBL ID CHEMBL4466405
Phase Preclinical
Structure Type MOL
InChI Key TWEXRDJPZKBFFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.25
ALogP
6
HBA
1
HBD
96.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14N6O
MW 354.37
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.16

Activity Summary

IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 34.0 nM 7.47 Inhibition of Wnt3a activated Wnt/beta-catenin signaling (unknown origin) expres... 30605343

Literature References

PubMed DOI Target Context # Activities
30605343 10.1021/acs.jmedchem.8b01408 HEK293 1
30605343 10.1021/acs.jmedchem.8b01408 Unchecked 1

Data from ChEMBL 36 via Core Engine