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Compound Detail

CHEMBL188093

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CC1=C(CCCCCC(=O)OCCN(C)C)C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL188093
Phase Preclinical
Structure Type MOL
InChI Key GWIZKLXYYFBPKR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.44
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO4
MW 357.45
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.53

Activity Summary

IC50 1 meas. best 4.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.9 4.9 12600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 12600.0 nM 4.9 Inhibitory concentration against Plasmodium falciparum FcBIR 15537352

Literature References

PubMed DOI Target Context # Activities
15537352 10.1021/jm0497545 Plasmodium falciparum 1
15537352 10.1021/jm0497545 MRC5 1

Data from ChEMBL 36 via Core Engine