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Compound Detail

CHEMBL1813128

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CCOC(=O)CC(=O)NCc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1813128
Phase Preclinical
Structure Type MOL
InChI Key GLKMYNISNCFKGR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
1.40
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14FNO3
MW 239.25
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
21767953 10.1016/j.bmc.2011.06.054 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine