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Compound Detail

CHEMBL249124

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O=C(Nc1ccccc1N1CCC(O)CC1)c1ccc([N+](=O)[O-])o1

Basic Information

ChEMBL ID CHEMBL249124
Phase Preclinical
Structure Type MOL
InChI Key DZBLHPFYHMMAOC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
2.40
ALogP
6
HBA
2
HBD
108.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O5
MW 331.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.69

Activity Summary

IC50 2 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.85 6.64 140.0 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