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Compound Detail

CHEMBL3098950

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

Basic Information

ChEMBL ID CHEMBL3098950
Phase Preclinical
Structure Type MOL
InChI Key HGXSXDQHLLZPKB-YYYKYCEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
2.47
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.49
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 C22H22N2O4
MW 378.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.34

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