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Compound Detail

CHEMBL3601836

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O=C(CCc1ccc(CN2CCCCC2)c(O)c1)c1ccc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601836
Phase Preclinical
Structure Type MOL
InChI Key OCXDDMODERLCFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.52
ALogP
3
HBA
2
HBD
56.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O2
MW 312.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
26235033 10.1021/acs.jnatprod.5b00114 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine