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Compound Detail

CHEMBL467159

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COC(=O)/C(O)=C/C(=O)c1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467159
Phase Preclinical
Structure Type MOL
InChI Key VTQKWBYSGWDQQQ-POHAHGRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

224.2
MW (Da)
1.62
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.37
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 C11H9FO4
MW 224.19
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
18644730 10.1016/j.bmc.2008.07.008 Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine