ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL566534
CHEMBL566534
Compound Name ARTEMETHER
ChEMBL Synonyms ARTEMETHER | Artemetheri
Max Phase 4 (Approved)
Trade Names Artemetheri
Molecular Formula C16H26O5

Additional synonyms for CHEMBL566534 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[ ...
Download SMILES
Standard InChI InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9) ...
Download InChI
Standard InChI Key SXYIRMFQILZOAM-HVNFFKDJSA-N

Sources

  • DrugMatrix
  • Manually Added Drugs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL566534

Molecule Features

CHEMBL566534 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:Y Chirality:Single Stereoisomer Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Ferriprotoporphyrin IX inhibitor Ferriprotoporphyrin IX DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Malaria, VivaxD016780EFO:0007445Plasmodium vivax malaria3ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
Malaria, FalciparumD016778EFO:0007444Plasmodium falciparum malaria3ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection1ClinicalTrials
MalariaD008288EFO:0001068malaria4ClinicalTrials
DailyMed

Clinical Data

ClinicalTrials.gov ARTEMETHER
The Cochrane Collaboration ARTEMETHER

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL566534. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.992
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.966
CHEMBL3056 Androgen Receptor Mus musculus 0.953
CHEMBL4503 Nociceptin receptor Rattus norvegicus 0.908
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.879
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.851
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.847
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.803
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.715



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5800 Falcipain 2 Plasmodium falciparum 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.987
CHEMBL4729 Cytochrome P450 2B6 Homo sapiens 0.983
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.982
CHEMBL4370 UDP-glucuronosyltransferase 2B7 Homo sapiens 0.981
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.952
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.943
CHEMBL4503 Nociceptin receptor Rattus norvegicus 0.769
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.579
CHEMBL1075302 Sodium/glucose cotransporter 2 Mus musculus 0.548
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.480
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.339
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.253
CHEMBL3985 Voltage-dependent calcium channel alpha2delta subunit Sus scrofa 0.218
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.203

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
298.4 298.178 2.84 1 46.15 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.82 2.82 0 21 0.7

Structural Alerts

There are 7 structural alerts for CHEMBL566534. To view alerts please click here.

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01B - ANTIMALARIALS
P01BE - Artemisinin and derivatives, plain
P01BE02 - artemether

ChemSpider ChemSpider:SXYIRMFQILZOAM-HVNFFKDJSA-N
DailyMed artemether
PubChem SID: 124893169 SID: 26758013

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL566534



ACToR 159573-83-8
ChEBI 195280
DrugBank DB06697
DrugCentral 245
eMolecules 6842664 29541475
EPA CompTox Dashboard DTXSID7040651
FDA SRS C7D6T3H22J
Guide to Pharmacology 9955
Human Metabolome Database HMDB0015643
IBM Patent System 3E53A01229DFF5D6D972884845B0DD77
LINCS LSM-5519
Mcule MCULE-9916057476
MolPort MolPort-023-220-124
NIH Clinical Collection SAM001246799
Nikkaji J41.424G
PubChem 68911
PubChem: Drugs of the Future 12013078
PubChem: Thomson Pharma 15345648
Selleck Artemether(SM-224)
SureChEMBL SCHEMBL1650501
ZINC ZINC000014263142

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SXYIRMFQILZOAM-HVNFFKDJSA-N spacer
spacer