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Compound Detail

CHEMBL4524301

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Cc1ccccc1-n1nnc(C(=O)Nc2ccc3cc(CN4CCCCC4)ccc3n2)c1C

Basic Information

ChEMBL ID CHEMBL4524301
Phase Preclinical
Structure Type MOL
InChI Key HYXSXGKUDLJRGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
4.67
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N6O
MW 440.55
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.10

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1200.0 nM 5.92 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