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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 6-Hydroxydopamine Hydrochloride | Oxidopamine
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

Sources

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

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

ClinicalTrials.gov OXIDOPAMINE
The Cochrane Collaboration OXIDOPAMINE

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 0.420
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.398
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.377
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.367
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.318
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.241
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.232



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.758
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.579
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.406
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.392
CHEMBL5855 Serine/threonine-protein kinase Nek1 Homo sapiens 0.361
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.321
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.253
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.252
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.223
CHEMBL2980 Arachidonate 5-lipoxygenase Bos taurus 0.215

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 BASE


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
9.2 9.92 -.94 -2.92 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
Brenda 49682
ChEBI 78741
EPA CompTox Dashboard DTXSID0036768
FDA SRS 8HW4YBZ748
Human Metabolome Database HMDB0001537
IBM Patent System C6B7F7D2E89734DDE7CA74D6946FF99E
LINCS LSM-37081
Mcule MCULE-1312792933
Metabolights MTBLC78741
Nikkaji J126K
PubChem 4624
PubChem: Thomson Pharma 15219478
SureChEMBL SCHEMBL37507
ZINC ZINC000000039112

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