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Compound Detail

CHEMBL2229406

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O=[N+]([O-])/N=C1\NCCN1CCF
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2229406
Phase Preclinical
Structure Type MOL
InChI Key OASYSNTUYUMIPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

176.2
MW (Da)
-0.59
ALogP
2
HBA
1
HBD
70.8
PSA (Ų)
0.46
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 C5H9FN4O2
MW 176.15
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
19253973 10.1021/jf803985r Unchecked 2
19253973 10.1021/jf803985r Aphis gossypii 1
- 10.1584/jpestics.R07-05 Aulacophora 1
- 10.1584/jpestics.R07-05 Spodoptera litura 1
- 10.1584/jpestics.R07-05 Myzus persicae 1

Data from ChEMBL 36 via Core Engine