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Compound Detail

CHEMBL4589355

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CN(C)c1ccc(CCC(O)c2cccc(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4589355
Phase Preclinical
Structure Type MOL
InChI Key AFFLFGHKGDMXEW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
3.12
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO2
MW 271.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
31000155 10.1016/j.bmcl.2019.04.020 Trypanosoma cruzi 1
31000155 10.1016/j.bmcl.2019.04.020 L929 1
31000155 10.1016/j.bmcl.2019.04.020 Unchecked 1

Data from ChEMBL 36 via Core Engine