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Compound Detail

CHEMBL2087256

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CO[C@@H]1CC[C@@]23c4cc5c(cc4CN(C[C@H]2O)[C@H]3C1)OCO5

Basic Information

ChEMBL ID CHEMBL2087256
Phase Preclinical
Structure Type MOL
InChI Key OFWKNXOJPAYNFO-BEMMVCDISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
1.41
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.85
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 C17H21NO4
MW 303.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.97

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.0 5.0 9900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 9900.0 nM 5.0 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum F-32... 22910226

Literature References

PubMed DOI Target Context # Activities
22910226 10.1016/j.bmc.2012.07.036 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine