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

CHEMBL225700

ARTEMETIN
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
COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225700
Name ARTEMETIN
Phase Preclinical
Structure Type MOL
InChI Key RIGYMJVFEJNCKD-UHFFFAOYSA-N
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.21
ALogP
8
HBA
1
HBD
96.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O8
MW 388.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 1.03

Activity Summary

IC50 4 meas. best 5.19
EC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HL-60
CHEMBL383
 IC50 5.19 5.19 6440.0 1
Trypanosoma brucei rhodesiense
CHEMBL612348
 EC50 4.92 4.92 12100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HL-60 IC50 = 6440.0 nM 5.19 Antiproliferative activity against HL60 after 24 hrs 17391969
Trypanosoma brucei rhodesiense EC50 = 12100.0 nM 4.92 Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... 30234295

Literature References

PubMed DOI Target Context # Activities
26191362 10.1021/acsmedchemlett.5b00043 Unchecked 2
22429052 10.1021/np200932k NON-PROTEIN TARGET 2
10757712 10.1021/np990352n No relevant target 2
17391969 10.1016/j.bmc.2007.03.021 HL-60 2
17027268 10.1016/j.bmcl.2006.09.051 Trichophyton benhamiae 1
30234295 10.1021/acs.jnatprod.8b00159 ADMET 1
22014750 10.1016/j.bmc.2011.09.039 Bile acid receptor/Retinoic acid receptor RXR-alpha 1
19193025 10.1021/np800721f Mycobacterium tuberculosis 1
11975496 10.1021/np0105331 PC-12 1
11975496 10.1021/np0105331 HCT-116 1
17027268 10.1016/j.bmcl.2006.09.051 Candida parapsilosis 1
17027268 10.1016/j.bmcl.2006.09.051 Aspergillus fumigatus 1
17027268 10.1016/j.bmcl.2006.09.051 Sporothrix schenckii 1
17027268 10.1016/j.bmcl.2006.09.051 Cryptococcus neoformans 1
17027268 10.1016/j.bmcl.2006.09.051 Candida albicans 1
17027268 10.1016/j.bmcl.2006.09.051 Staphylococcus aureus 1
17027268 10.1016/j.bmcl.2006.09.051 Pseudomonas aeruginosa 1
17027268 10.1016/j.bmcl.2006.09.051 Escherichia coli 1
17027268 10.1016/j.bmcl.2006.09.051 Klebsiella pneumoniae 1
17027268 10.1016/j.bmcl.2006.09.051 Enterococcus faecalis 1

Data from ChEMBL 36 via Core Engine