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Compound Detail

CHEMBL2041117

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CCCc1ccc(-c2ccc(NC3=C(O)C(=O)c4ccccc4C3=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2041117
Phase Preclinical
Structure Type MOL
InChI Key DOAFQHCAPXWBPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
5.57
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21NO3
MW 383.45
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.18

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