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Compound Detail

CHEMBL518262

ERYTHRALINE
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CO[C@H]1C=CC2=CCN3CCc4cc5c(cc4[C@]23C1)OCO5

Basic Information

ChEMBL ID CHEMBL518262
Name ERYTHRALINE
Phase Preclinical
Structure Type MOL
InChI Key TVOFUERNMZTYRM-KSSFIOAISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
2.38
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO3
MW 297.35
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.66

Activity Summary

IC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.14 5.14 7300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 7300.0 nM 5.14 Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 inf... 35461019

Literature References

PubMed DOI Target Context # Activities
19026536 10.1016/j.bmcl.2008.10.111 Jurkat 2
35461019 10.1016/j.ejmech.2022.114361 Plasmodium falciparum 1
35461019 10.1016/j.ejmech.2022.114361 MRC5 1

Data from ChEMBL 36 via Core Engine