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Compound Detail

CHEMBL3288944

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O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCc3ccc(F)cc3)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288944
Phase Preclinical
Structure Type MOL
InChI Key KVMUMOWQTHCCIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
4.29
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15FO6
MW 394.35
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.46

Literature References

PubMed DOI Target Context # Activities
24794743 10.1016/j.bmc.2014.04.016 Human immunodeficiency virus type 1 integrase 3
24794743 10.1016/j.bmc.2014.04.016 Human immunodeficiency virus 1 1
24794743 10.1016/j.bmc.2014.04.016 C8166 1
24794743 10.1016/j.bmc.2014.04.016 ADMET 1

Data from ChEMBL 36 via Core Engine