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Compound Detail

CHEMBL462987

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462987
Phase Preclinical
Structure Type MOL
InChI Key CBXPMQIDUGPEPO-DOFZRALJSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
7.65
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33F3O
MW 370.50
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 0.61

Pharmacokinetic Data

Parameter Value Units Species
T1/2 52.0 hr Mus musculus

Literature References

PubMed DOI Target Context # Activities
18983142 10.1021/jm800311k Mus musculus 1

Data from ChEMBL 36 via Core Engine