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Compound Detail

CHEMBL515630

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O=C1/C(=C/c2ccccc2C(F)(F)F)CC/C1=C\c1ccccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL515630
Phase Preclinical
Structure Type MOL
InChI Key HPGPUHUSEBUKMO-JOBJLJCHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

396.3
MW (Da)
6.55
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14F6O
MW 396.33
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.55

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19243951 10.1016/j.bmc.2008.10.044 HL-60 1
19243951 10.1016/j.bmc.2008.10.044 NON-PROTEIN TARGET 1
19243951 10.1016/j.bmc.2008.10.044 No relevant target 1

Data from ChEMBL 36 via Core Engine