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Compound Detail

CHEMBL2165518

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O=C(NCCCC(NC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F)OCc1ccc([N+](=O)[O-])cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2165518
Phase Preclinical
Structure Type MOL
InChI Key AAJFXBZWWFBVPC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

576.4
MW (Da)
3.80
ALogP
9
HBA
3
HBD
200.2
PSA (Ų)
0.14
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F4N4O10
MW 576.41
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
23031595 10.1016/j.bmcl.2012.09.005 Trypanosoma brucei 1
23031595 10.1016/j.bmcl.2012.09.005 Unchecked 1

Data from ChEMBL 36 via Core Engine