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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL301267
CHEMBL301267
Compound Name ARTEMOTIL
ChEMBL Synonyms ARTEMOTIL
Max Phase 4 (Approved)
Trade Names
Molecular Formula C17H28O5

Additional synonyms for CHEMBL301267 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCO[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/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20 ...
Download InChI
Standard InChI Key NLYNIRQVMRLPIQ-XQLAAWPRSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL301267

Molecule Features

CHEMBL301267 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:Y Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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 CHEMBL301267. 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
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 1.000
CHEMBL4503 Nociceptin receptor Rattus norvegicus 0.994
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.962
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.945
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.941
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.937
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.899
CHEMBL2782 Acyl coenzyme A:cholesterol acyltransferase 1 Homo sapiens 0.828
CHEMBL3870 Matrix metalloproteinase 9 Rattus norvegicus 0.387
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.286
CHEMBL5412 C-C chemokine receptor type 2 Mus musculus 0.223
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 0.210



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5800 Falcipain 2 Plasmodium falciparum 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL4370 UDP-glucuronosyltransferase 2B7 Homo sapiens 1.000
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.999
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.996
CHEMBL4729 Cytochrome P450 2B6 Homo sapiens 0.982
CHEMBL4503 Nociceptin receptor Rattus norvegicus 0.981
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.899
CHEMBL5845 Glycine receptor subunit alpha-1 Homo sapiens 0.878
CHEMBL3262 Lanosterol synthase Rattus norvegicus 0.848
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.793
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.656
CHEMBL3985 Voltage-dependent calcium channel alpha2delta subunit Sus scrofa 0.629
CHEMBL1075302 Sodium/glucose cotransporter 2 Mus musculus 0.476
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.400
CHEMBL237 Kappa opioid receptor Homo sapiens 0.360

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
312.4 312.1937 2.38 2 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
- - 3.33 3.33 0 22 0.73

Structural Alerts

There are 7 structural alerts for CHEMBL301267. 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
P01BE04 - artemotil

ChemSpider ChemSpider:NLYNIRQVMRLPIQ-XQLAAWPRSA-N
Wikipedia Artemotil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL301267



BindingDB 50426305
eMolecules 36751711
FDA SRS XGL7GFB9YI
MolPort MolPort-023-220-418
Nikkaji J362.163D
PubChem 3000469
PubChem: Drugs of the Future 12014203
PubChem: Thomson Pharma 16025132
SureChEMBL SCHEMBL17156474

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