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Compound Detail

CHEMBL2041105

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Cc1ccc2c(n1)C(=O)C=C(Nc1ccc(-c3ccc(O)cc3)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2041105
Phase Preclinical
Structure Type MOL
InChI Key HKCWEWXPLFDJHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
4.14
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16N2O3
MW 356.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
22781704 10.1016/j.ejmech.2012.06.046 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine