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Compound Detail

CHEMBL2270663

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OCC1(CO)CO/C(=N\c2ccc(F)cc2F)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2270663
Phase Preclinical
Structure Type MOL
InChI Key VAMNOURTNIDEPQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
0.30
ALogP
4
HBA
3
HBD
74.1
PSA (Ų)
0.73
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 C11H12F2N2O3
MW 258.22
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.65

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11714317 10.1021/jf010632k Drosophila melanogaster 2
11714317 10.1021/jf010632k Uncharacterized protein 1

Data from ChEMBL 36 via Core Engine