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Compound Detail

CHEMBL43162

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O=C(Oc1cccc2c1C(=O)C=C(N1CC1)C2=O)c1ccco1

Basic Information

ChEMBL ID CHEMBL43162
Phase Preclinical
Structure Type MOL
InChI Key LHUMPJKHHQDENV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
2.08
ALogP
6
HBA
0
HBD
76.6
PSA (Ų)
0.49
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 C17H11NO5
MW 309.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.09

Activity Summary

IC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 490.0 nM 6.31 In vitro antimalarial activity against human malaria parasite, P falciparum (Vie... 2033589

Literature References

PubMed DOI Target Context # Activities
2033589 10.1021/jm00109a016 Unchecked 1

Data from ChEMBL 36 via Core Engine