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Compound Detail

CHEMBL3098948

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CCOC(=O)N[C@@H]1C(=O)N(c2ccc(C)cc2)[C@@H]1/C=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3098948
Phase Preclinical
Structure Type MOL
InChI Key RWLDFFPAOXTWKQ-YYYKYCEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.54
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.84
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 C21H22N2O3
MW 350.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
24287561 10.1016/j.ejmech.2013.10.079 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine