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Compound Detail

CHEMBL324905

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CN(C)C1C2c3ccccc3C(c3ccccc32)C1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324905
Phase Preclinical
Structure Type MOL
InChI Key LYQOGCWCHQTUIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
2.91
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO2
MW 293.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.15

Activity Summary

IC50 1 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.3 4.3 50000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 50000.0 nM 4.3 Antimicrobial activity against Plasmodium falciparum 20185316

Literature References

PubMed DOI Target Context # Activities
12109904 10.1021/jm011046l Plasmodium falciparum 4
12109904 10.1021/jm011046l No relevant target 3
12109904 10.1021/jm011046l ADMET 1
12109904 10.1021/jm011046l Unchecked 1
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine