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Compound Detail

CHEMBL2030293

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Cc1c(-c2ccc(-c3ccc(F)cc3F)cc2)[nH]c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030293
Phase Preclinical
Structure Type MOL
InChI Key XVUIKKHOSCAYHX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
5.45
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15F2NO
MW 347.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.67 6.67 213.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 213.0 nM 6.67 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