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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL567597
CHEMBL567597
Compound Name ARTEMISININ
ChEMBL Synonyms GNF-Pf-5341 | ARTEMISININ | (+)-Artemisinin | Artemisin
Max Phase 4 (Approved)
Trade Names Artemisin
Molecular Formula C15H22O5

Additional synonyms for CHEMBL567597 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@ ...
Download SMILES
Standard InChI InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7 ...
Download InChI
Standard InChI Key BLUAFEHZUWYNDE-DKGJTOOQSA-N

Sources

  • DrugMatrix
  • Manually Added Drugs
  • Novartis Malaria Screening
  • Open Source Malaria Screening
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL567597

Molecule Features

CHEMBL567597 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:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials

Clinical Data

ClinicalTrials.gov ARTEMISININ
The Cochrane Collaboration ARTEMISININ

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 CHEMBL567597. 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
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.993
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.961
CHEMBL237 Kappa opioid receptor Homo sapiens 0.959
CHEMBL3056 Androgen Receptor Mus musculus 0.872
CHEMBL2034805 N-acylethanolamine-hydrolyzing acid amidase Rattus norvegicus 0.840
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.737
CHEMBL4503 Nociceptin receptor Rattus norvegicus 0.668
CHEMBL2782 Acyl coenzyme A:cholesterol acyltransferase 1 Homo sapiens 0.387



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5800 Falcipain 2 Plasmodium falciparum 1.000
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 1.000
CHEMBL4729 Cytochrome P450 2B6 Homo sapiens 0.999
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.989
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.978
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.977
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.916
CHEMBL237 Kappa opioid receptor Homo sapiens 0.902
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.833
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.763
CHEMBL2034805 N-acylethanolamine-hydrolyzing acid amidase Rattus norvegicus 0.633
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.444
CHEMBL4503 Nociceptin receptor Rattus norvegicus 0.321
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.296

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
282.3 282.1467 2.39 0 53.99 -


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
- - 2.39 2.39 0 20 0.5

Structural Alerts

There are 8 structural alerts for CHEMBL567597. 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
P01BE01 - artemisinin

ChemSpider ChemSpider:BLUAFEHZUWYNDE-DKGJTOOQSA-N
PubChem SID: 26755288

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL567597



BindingDB 36349
IBM Patent System A40C3DB48696D87F811B9916C5A22821
MolPort MolPort-002-493-751
PubChem 9838675
PubChem: Thomson Pharma 14799725 16486532
SureChEMBL SCHEMBL60303
ZINC ZINC000100014791

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