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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL337702
CHEMBL337702
Compound Name OXIDOPAMINE
ChEMBL Synonyms OXIDOPAMINE | 6-Hydroxydopamine Hydrochloride
Max Phase 0
Trade Names
Molecular Formula C8H11NO3

Additional synonyms for CHEMBL337702 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1cc(O)c(O)cc1O
Standard InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H, ...
Download InChI
Standard InChI Key DIVDFFZHCJEHGG-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL337702

Molecule Features

CHEMBL337702 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule 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

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 CHEMBL337702. 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
CHEMBL5855 Serine/threonine-protein kinase Nek1 Homo sapiens 0.399
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.379
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.375
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.352
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.242
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.235



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.579
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.570
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.453
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.376
CHEMBL5855 Serine/threonine-protein kinase Nek1 Homo sapiens 0.352
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.337
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.246
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.245
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.236
CHEMBL2980 Arachidonate 5-lipoxygenase Bos taurus 0.208
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.204

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
169.2 169.0739 0.53 2 86.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.51 .82 3.21 2.06 1 12 0.38

Structural Alerts

There are 8 structural alerts for CHEMBL337702. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DIVDFFZHCJEHGG-UHFFFAOYSA-N
PubChem SID: 50112905 SID: 50112906
Wikipedia Oxidopamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL337702



ACToR 1199-18-4
BindingDB 81264
ChEBI 78741
EPA CompTox Dashboard DTXSID0036768
FDA SRS 8HW4YBZ748
Human Metabolome Database HMDB01537
IBM Patent System C6B7F7D2E89734DDE7CA74D6946FF99E
LINCS LSM-37081
Mcule MCULE-1312792933
MolPort MolPort-002-051-999
Nikkaji J126K
PubChem 4624
PubChem: Thomson Pharma 15219478
SureChEMBL SCHEMBL37507

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