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Compound Detail

CHEMBL225644

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O=Cc1ccc(O)c(CN2CCOCC2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225644
Phase Preclinical
Structure Type MOL
InChI Key ZKCRXTHOKDPMQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

237.2
MW (Da)
0.74
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.76
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 C12H15NO4
MW 237.25
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
17052908 10.1016/j.bmc.2006.09.055 Falcipain 2 1
17052908 10.1016/j.bmc.2006.09.055 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine