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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

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

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

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL6607

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 0.998
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.684
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.387

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
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.347
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.281

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

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
BindinDB 50005257
DrugBank DB01484
eMolecules 31230161
Guide to Pharmacology 163 155
IBM Patent System C7A64042B225A90D4469DCFFB0F94916
IBM Patents US20060257491 WO2009092651A2 WO2006056812A1 US20030022875 US20020161016 WO2009092652A1 WO2008053253A2 US20080127972 WO2009092653A1 US20010008896 US6228864 EP1011661A1 WO2006059152A2 EP2252352A1 US7226910 EP2174653A1 WO2009092770A1 US6946141 US6403651 EP2254632A1 US20050070516 US20020013304 US20040044080 WO2009095681A2 EP2082771A1 EP1027011A1 EP2082768A1 EP2082766A1 US6403597 US20020099003 US20100258118 US6037360 US5925677 EP2086523A2 WO1998042331A1 EP2082767A1 WO2005025550A1 US20040063721 US20060041021 US20080220078 EP1817015A2 US20070043030 EP1814521B1 US5922341 WO1999021508A1 EP0813878A1 EP1814521A1 WO2009045900A2 US6495154 EP2244770A1 EP1663180A1 US20100260772 WO2009092768A1 EP2082772A1 EP0813878B1 EP2249807A2
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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