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Compound Detail

CHEMBL2165516

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

Basic Information

ChEMBL ID CHEMBL2165516
Phase Preclinical
Structure Type MOL
InChI Key ZBRYQWISLMQTHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.3
MW (Da)
1.79
ALogP
6
HBA
3
HBD
144.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16F3N3O6
MW 379.29
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.95

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