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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6731
CHEMBL6731
Compound Name TENAMFETAMINE
ChEMBL Synonyms Tenamfetamine
Max Phase 0
Trade Names
Molecular Formula C10H13NO2

Additional synonyms for CHEMBL6731 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N)Cc1ccc2OCOc2c1
Standard InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5 ...
Download InChI
Standard InChI Key NGBBVGZWCFBOGO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL6731

Molecule Features

CHEMBL6731 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

Clinical Data

ClinicalTrials.gov TENAMFETAMINE
The Cochrane Collaboration TENAMFETAMINE

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 CHEMBL6731. 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
CHEMBL4481 Nitric oxide synthase, inducible Homo sapiens 1.000
CHEMBL4566 Endothelin receptor ET-A Rattus norvegicus 1.000
CHEMBL1785 Endothelin receptor ET-B Homo sapiens 1.000
CHEMBL3898 Bone morphogenetic protein 1 Homo sapiens 1.000
CHEMBL252 Endothelin receptor ET-A Homo sapiens 1.000
CHEMBL3278 Ghrelin receptor Rattus norvegicus 0.998
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.992
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.990
CHEMBL3949 Endothelin receptor ET-B Sus scrofa 0.974
CHEMBL4224 Dual specificty protein kinase CLK1 Homo sapiens 0.861
CHEMBL4631 Endothelin receptor ET-B Rattus norvegicus 0.594
CHEMBL4203 Dual specificity protein kinase CLK4 Homo sapiens 0.564
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 0.386
CHEMBL1075280 Dual specificity protein kinase CLK1 Mus musculus 0.380
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.370
CHEMBL2028 Somatostatin receptor 3 Homo sapiens 0.236
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.223



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4481 Nitric oxide synthase, inducible Homo sapiens 1.000
CHEMBL4566 Endothelin receptor ET-A Rattus norvegicus 1.000
CHEMBL4631 Endothelin receptor ET-B Rattus norvegicus 1.000
CHEMBL1785 Endothelin receptor ET-B Homo sapiens 0.999
CHEMBL3278 Ghrelin receptor Rattus norvegicus 0.999
CHEMBL3898 Bone morphogenetic protein 1 Homo sapiens 0.999
CHEMBL252 Endothelin receptor ET-A Homo sapiens 0.998
CHEMBL3949 Endothelin receptor ET-B Sus scrofa 0.996
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 0.996
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.992
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.952
CHEMBL323 Serotonin 2b (5-HT2b) receptor Rattus norvegicus 0.878
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.830
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.645
CHEMBL2028 Somatostatin receptor 3 Homo sapiens 0.513
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.424
CHEMBL4224 Dual specificty protein kinase CLK1 Homo sapiens 0.419
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.413
CHEMBL1075280 Dual specificity protein kinase CLK1 Mus musculus 0.243

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
179.2 179.0946 1.4 2 44.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.94 1.64 -.8 1 13 0.75

Structural Alerts

There are no structural alerts for CHEMBL6731

Compound Cross References

ChemSpider ChemSpider:NGBBVGZWCFBOGO-UHFFFAOYSA-N
Wikipedia 3,4-Methylenedioxyamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6731



ACToR 4764-17-4
BindingDB 50005247
Brenda 136573
DrugBank DB01509
eMolecules 977567
Human Metabolome Database HMDB0041931
IBM Patent System F467AD93DF90D7401B80052EE60E95D9
Nikkaji J1.191.661I J1.191.662G J40.084J
PubChem 1614
PubChem: Thomson Pharma 14748325
SureChEMBL SCHEMBL393456

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