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Compound Detail

CHEMBL376914

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OCc1cccc(-c2cccc(CO)c2O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376914
Phase Preclinical
Structure Type MOL
InChI Key IOXDCDUHWROTBY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
1.75
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.66
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 C14H14O4
MW 246.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.52

Literature References

PubMed DOI Target Context # Activities
17328534 10.1021/jm0611713 Human immunodeficiency virus 2 2
17328534 10.1021/jm0611713 Cholinesterase 1
17328534 10.1021/jm0611713 Human immunodeficiency virus 1 1
17328534 10.1021/jm0611713 ADMET 1

Data from ChEMBL 36 via Core Engine