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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6607
CHEMBL6607
Compound Name BROLAMFETAMINE
ChEMBL Synonyms BROLAMFETAMINE
Max Phase 0
Trade Names
Molecular Formula C11H16BrNO2

Additional synonyms for CHEMBL6607 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CC(C)N)c(OC)cc1Br
Standard InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/ ...
Download InChI
Standard InChI Key FXMWUTGUCAKGQL-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL6607

Molecule Features

CHEMBL6607 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 BROLAMFETAMINE
The Cochrane Collaboration BROLAMFETAMINE

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 CHEMBL6607. 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
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 1.000
CHEMBL323 Serotonin 2b (5-HT2b) receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.999
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.899
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.884
CHEMBL2531 P2X purinoceptor 2 Homo sapiens 0.602
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.425



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 1.000
CHEMBL323 Serotonin 2b (5-HT2b) receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.996
CHEMBL2531 P2X purinoceptor 2 Homo sapiens 0.969
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 0.907
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.719
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.485

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
274.2 273.0364 2.35 4 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
- 9.41 2.61 .63 1 15 0.92

Structural Alerts

There are 2 structural alerts for CHEMBL6607. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FXMWUTGUCAKGQL-UHFFFAOYSA-N
Wikipedia 2,5-Dimethoxy-4-bromoamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6607



ACToR 32156-26-6 64638-07-9
BindingDB 50005257
DrugBank DB01484
eMolecules 31230161
EPA CompTox Dashboard DTXSID5050428
Guide to Pharmacology 163 155
IBM Patent System C7A64042B225A90D4469DCFFB0F94916
Nikkaji J275.083J
PubChem 62065
PubChem: Thomson Pharma 15071198
SureChEMBL SCHEMBL714339

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