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Compound Detail

CHEMBL427253

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NC(=S)N/N=C/c1ccc(O)c(CN2CCOCC2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL427253
Phase Preclinical
Structure Type MOL
InChI Key AWQJXDCCKARPGG-VIZOYTHASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
0.10
ALogP
6
HBA
4
HBD
103.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N4O3S
MW 310.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.46

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