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Compound Detail

CHEMBL2165395

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NCCCC(N)(C(=O)OCc1ccc([N+](=O)[O-])cc1)C(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2165395
Phase Preclinical
Structure Type MOL
InChI Key BGPFCMVNCMUMBS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
1.34
ALogP
6
HBA
2
HBD
121.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17F2N3O4
MW 317.29
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.35

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