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Compound Detail

CHEMBL507619

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CCNC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O

Basic Information

ChEMBL ID CHEMBL507619
Phase Preclinical
Structure Type MOL
InChI Key XNGDGDIHSVOJPB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

551.7
MW (Da)
3.55
ALogP
8
HBA
2
HBD
95.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37N7O2
MW 551.70
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.39

Activity Summary

IC50 2 meas. best 8.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.49 8.49 3.2 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 7.35 7.35 45.0 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
19193011 10.1021/jm801406h Liver microsomes 1

Data from ChEMBL 36 via Core Engine