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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276443
CHEMBL276443
Compound Name ETILAMFETAMINE
ChEMBL Synonyms ETILAMFETAMINE
Max Phase 0
Trade Names
Molecular Formula C11H17N

Additional synonyms for CHEMBL276443 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(C)Cc1ccccc1
Standard InChI InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H, ...
Download InChI
Standard InChI Key YAGBSNMZQKEFCO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL276443

Molecule Features

CHEMBL276443 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
OBESITYD009765EFO:0001073OBESITY4ATC

Clinical Data

ClinicalTrials.gov ETILAMFETAMINE
The Cochrane Collaboration ETILAMFETAMINE

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 CHEMBL276443. 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
CHEMBL1944 Neprilysin Homo sapiens 0.999
CHEMBL3369 Neprilysin Rattus norvegicus 0.998
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.975
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.975
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.960
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.957
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.954
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.952
CHEMBL3736 Angiotensin-converting enzyme 2 Homo sapiens 0.947
CHEMBL2069161 Probable G-protein coupled receptor 142 Homo sapiens 0.920
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.895
CHEMBL2382 Calpain 2 Homo sapiens 0.871
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.853
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.853
CHEMBL2590 Aminopeptidase N Sus scrofa 0.848
CHEMBL3891 Calpain 1 Homo sapiens 0.801
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 0.768
CHEMBL4791 Endothelin-converting enzyme 1 Homo sapiens 0.767
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 0.683
CHEMBL287 Sigma opioid receptor Homo sapiens 0.517



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3369 Neprilysin Rattus norvegicus 0.998
CHEMBL1944 Neprilysin Homo sapiens 0.998
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.994
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.987
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.981
CHEMBL2069161 Probable G-protein coupled receptor 142 Homo sapiens 0.978
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.970
CHEMBL2590 Aminopeptidase N Sus scrofa 0.970
CHEMBL3736 Angiotensin-converting enzyme 2 Homo sapiens 0.966
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.966
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.958
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.951
CHEMBL3754 Beta-2 adrenergic receptor Rattus norvegicus 0.947
CHEMBL2088 Carboxypeptidase A1 Homo sapiens 0.898
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.885
CHEMBL2382 Calpain 2 Homo sapiens 0.836
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.819
CHEMBL3891 Calpain 1 Homo sapiens 0.784
CHEMBL2323 Cathepsin B Bos taurus 0.775
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.747

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
163.3 163.1361 2.42 4 12.03 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.38 2.71 -.03 1 12 0.72

Structural Alerts

There are no structural alerts for CHEMBL276443

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A08 - ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08A - ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08AA - Centrally acting antiobesity products
A08AA06 - etilamfetamine

ChemSpider ChemSpider:YAGBSNMZQKEFCO-UHFFFAOYSA-N
Wikipedia Etilamfetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276443



ACToR 33817-11-7 457-87-4
ChEBI 134796
DrugCentral 1100
IBM Patent System 16652382AE71B845429EC44BC6276462
Nikkaji J5.759B
PubChem 9982
PubChem: Thomson Pharma 15066552
SureChEMBL SCHEMBL162316

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