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Compound Detail

CHEMBL3793371

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COc1cc(CCCO)cc(OC)c1O

Basic Information

ChEMBL ID CHEMBL3793371
Phase Preclinical
Structure Type MOL
InChI Key PHOPGVYKZWPIGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
1.33
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H16O4
MW 212.24
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.86

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
- 10.6019/CHEMBL4513160 Pseudomonas aeruginosa 2
26978121 10.1016/j.ejmech.2015.12.002 3',5'-cyclic-AMP phosphodiesterase 4D 1
- 10.6019/CHEMBL4513160 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine