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Compound Detail

CHEMBL388101

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Cc1c(O)ccc(/C=N/NC(N)=S)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388101
Phase Preclinical
Structure Type MOL
InChI Key SXXCTMWHPJKILL-NYYWCZLTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

225.3
MW (Da)
0.57
ALogP
4
HBA
4
HBD
90.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11N3O2S
MW 225.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.95

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