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Compound Detail

CHEMBL2030315

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COc1cccc(-c2ccc(-c3[nH]c4ccccc4c(=O)c3C)cn2)c1

Basic Information

ChEMBL ID CHEMBL2030315
Phase Preclinical
Structure Type MOL
InChI Key QSNANYRXRGLDNN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.57
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.59
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 C22H18N2O2
MW 342.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.25 6.25 556.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 556.0 nM 6.25 Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 inf... 22364417

Literature References

PubMed DOI Target Context # Activities
22364417 10.1021/jm201184h Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine