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Compound Detail

CHEMBL149306

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O=C(/C=C/c1ccc(O)c(O)c1)OCCCCOC(=O)/C=C/c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149306
Phase Preclinical
Structure Type MOL
InChI Key FHYHSSSYAYUMJH-NXZHAISVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
3.10
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.21
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22O8
MW 414.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
9986720 10.1021/jm9804735 Human immunodeficiency virus type 1 integrase 2
9986720 10.1021/jm9804735 MT2 1
9986720 10.1021/jm9804735 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine