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Compound Detail

CHEMBL1198369

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CCCCCn1c(=N)n(CC(O)COc2cccc(C)c2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198369
Phase Preclinical
Structure Type MOL
InChI Key FZFXKVXUQPPZJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
3.86
ALogP
5
HBA
2
HBD
63.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O2
MW 367.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
31284086 10.1016/j.ejmech.2019.06.062 Cruzipain 2
31284086 10.1016/j.ejmech.2019.06.062 Rhodesain 2

Data from ChEMBL 36 via Core Engine