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Compound Detail

CHEMBL1254782

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O=C(O)COCC(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1254782
Phase Preclinical
Structure Type MOL
InChI Key NZDIHVMXUHMJBC-BEQMOXJMSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
2.94
ALogP
4
HBA
1
HBD
83.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19F2NO5
MW 427.40
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.74

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20638855 10.1016/j.bmc.2010.06.055 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine