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Compound Detail

CHEMBL249542

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O=C(Nc1ccccc1N1CCCCC1)c1ccc(C(F)(F)F)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL249542
Phase Preclinical
Structure Type MOL
InChI Key KMINLHNCTFAZOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
4.54
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.89
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 C17H17F3N2O2
MW 338.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.60

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