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Compound Detail

CHEMBL225592

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O=Cc1ccc(O)c(CN2CCCCC2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225592
Phase Preclinical
Structure Type MOL
InChI Key PLAGHJZNFKBREB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
1.90
ALogP
4
HBA
2
HBD
60.8
PSA (Ų)
0.79
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 C13H17NO3
MW 235.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.03

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