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Compound Detail

CHEMBL1254615

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OC1/C(=C/c2ccccc2F)CNC/C1=C\c1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1254615
Phase Preclinical
Structure Type MOL
InChI Key MCGYZYRUPCMPOT-KAVGSWPWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.40
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17F2NO
MW 313.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.25

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