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Compound Detail

CHEMBL399543

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N#Cc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)o2)c1

Basic Information

ChEMBL ID CHEMBL399543
Phase Preclinical
Structure Type MOL
InChI Key LONZWZXDMYLWOG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.27
ALogP
5
HBA
1
HBD
93.1
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O2
MW 320.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.88

Activity Summary

IC50 2 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.92 6.52 120.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17904845 10.1016/j.bmcl.2007.09.057 Macrophage colony-stimulating factor 1 receptor 2

Data from ChEMBL 36 via Core Engine