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Compound Detail

CHEMBL251586

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CCCN(CC)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL251586
Phase Preclinical
Structure Type MOL
InChI Key DOASZIZDFJMGIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
3.68
ALogP
5
HBA
1
HBD
88.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O4
MW 317.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.15

Literature References

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

Data from ChEMBL 36 via Core Engine