Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL83633

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@H]1CCC2C3(CC3)C(=O)O[C@@H]3O[C@@]4(C)CCC1[C@@]23OO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83633
Phase Preclinical
Structure Type MOL
InChI Key UTJQVEFLKLNCOH-AIZKMHLASA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
2.54
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22O5
MW 294.35
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 3.75

Activity Summary

IC50 2 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.28 5.175 5200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 5200.0 nM 5.28 In vitro antimalarial activity against Plasmodium falciparum D6 Sierra Leone rel... 8355254
Plasmodium falciparum IC50 = 8600.0 nM 5.07 In vitro antimalarial activity relative to artemisinin against Plasmodium falcip... 8355254

Literature References

PubMed DOI Target Context # Activities
8355254 10.1021/jm00069a014 Plasmodium falciparum 4

Data from ChEMBL 36 via Core Engine