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Compound Detail

CHEMBL3219632

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CCOC(=O)c1c[nH]c2cc(OCc3ccccc3)ccc2c1=O

Basic Information

ChEMBL ID CHEMBL3219632
Phase Preclinical
Structure Type MOL
InChI Key AJFAAXMCFXOPOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.28
ALogP
4
HBA
1
HBD
68.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO4
MW 323.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00183C Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine