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Compound Detail

CHEMBL3416683

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O=C(O)CCCNCC(O)COc1cc(=O)oc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416683
Phase Preclinical
Structure Type MOL
InChI Key RSWMFLKXZFINNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
0.99
ALogP
6
HBA
3
HBD
109.0
PSA (Ų)
0.47
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 C16H19NO6
MW 321.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
25768703 10.1016/j.ejmech.2015.02.043 Brugia malayi 8
25768703 10.1016/j.ejmech.2015.02.043 Unchecked 2
25768703 10.1016/j.ejmech.2015.02.043 Vero 1

Data from ChEMBL 36 via Core Engine