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Compound Detail

CHEMBL4871756

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CN(C)c1ccc2c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1

Basic Information

ChEMBL ID CHEMBL4871756
Phase Preclinical
Structure Type MOL
InChI Key QLMTVDQQHJBWAE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
5.08
ALogP
5
HBA
3
HBD
82.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N6O
MW 398.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.61 6.61 243.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34606263 10.1021/acs.jmedchem.1c01006 Macrophage colony-stimulating factor 1 receptor 1
34606263 10.1021/acs.jmedchem.1c01006 Aurora kinase A 1
34606263 10.1021/acs.jmedchem.1c01006 Aurora kinase B 1

Data from ChEMBL 36 via Core Engine