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Compound Detail

CHEMBL490080

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CONC(=O)c1cn(C2CCCCC2)c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2c1=O

Basic Information

ChEMBL ID CHEMBL490080
Phase Preclinical
Structure Type MOL
InChI Key LYINTIKJROJCGF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
3.97
ALogP
8
HBA
2
HBD
101.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N6O3
MW 490.61
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.12

Activity Summary

IC50 2 meas. best 8.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.39 8.39 4.1 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 7.94 7.94 11.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19193011 10.1021/jm801406h Macrophage colony-stimulating factor 1 receptor 2

Data from ChEMBL 36 via Core Engine