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Compound Detail

CHEMBL2041116

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Nc1ccc(-c2ccc(NC3=CC(=O)c4ncccc4C3=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2041116
Phase Preclinical
Structure Type MOL
InChI Key DOBNEQSFQNCTGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.71
ALogP
5
HBA
2
HBD
85.1
PSA (Ų)
0.71
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 C21H15N3O2
MW 341.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.03

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