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Compound Detail

CHEMBL3416678

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O=c1cc(OCC(O)CN2CCCCC2)c2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416678
Phase Preclinical
Structure Type MOL
InChI Key PIOATJSCBBVYKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
2.02
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO4
MW 303.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.48

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