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Compound Detail

CHEMBL256406

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NC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2c1=O

Basic Information

ChEMBL ID CHEMBL256406
Phase Preclinical
Structure Type MOL
InChI Key UHYNYWMDYRMSHH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
2.94
ALogP
8
HBA
2
HBD
115.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N6O3
MW 496.57
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.43

Activity Summary

IC50 2 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.66 7.66 22.0 1
Macrophage
CHEMBL612578
IC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18342505 10.1016/j.bmcl.2008.02.070 Liver microsomes 2
18342505 10.1016/j.bmcl.2008.02.070 Macrophage colony-stimulating factor 1 receptor 1
18342505 10.1016/j.bmcl.2008.02.070 Macrophage 1

Data from ChEMBL 36 via Core Engine