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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL10316
CHEMBL10316
Compound Name IDAZOXAN
ChEMBL Synonyms IDAZOXAN | RX-781094 | Idazoxan Hydrochloride
Max Phase 3
Trade Names
Molecular Formula C11H12N2O2

Additional synonyms for CHEMBL10316 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CN=C(N1)C2COc3ccccc3O2
Standard InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13 ...
Download InChI
Standard InChI Key HPMRFMKYPGXPEP-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL10316

Molecule Features

CHEMBL10316 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ALZHEIMER DISEASED000544EFO:0000249ALZHEIMERS DISEASE0ClinicalTrials

Clinical Data

ClinicalTrials.gov IDAZOXAN
The Cochrane Collaboration IDAZOXAN

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 CHEMBL10316. 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
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 1.000
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 1.000
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 1.000
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 1.000
CHEMBL5221 Nischarin Rattus norvegicus 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.996
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.995
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.993
CHEMBL1995 Prostanoid IP receptor Homo sapiens 0.989
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.967
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.963
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.945
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.891
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 0.879
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.814
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.624
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.273
CHEMBL327 Alpha-2a adrenergic receptor Rattus norvegicus 0.273
CHEMBL3998 Dopamine D2 receptor Bos taurus 0.263



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 1.000
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 1.000
CHEMBL5221 Nischarin Rattus norvegicus 1.000
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 1.000
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 1.000
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.997
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.997
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.990
CHEMBL1995 Prostanoid IP receptor Homo sapiens 0.984
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 0.980
CHEMBL326 Alpha-1d adrenergic receptor Rattus norvegicus 0.945
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.932
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.918
CHEMBL3446 Serotonin 2a (5-HT2a) receptor Bos taurus 0.789
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.736
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.697
CHEMBL327 Alpha-2a adrenergic receptor Rattus norvegicus 0.531

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
204.2 204.0899 0.89 1 42.85 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.52 2.31 .55 1 15 0.74

Structural Alerts

There are no structural alerts for CHEMBL10316

Compound Cross References

ChemSpider ChemSpider:HPMRFMKYPGXPEP-UHFFFAOYSA-N
PubChem SID: 104171177 SID: 144203724 SID: 170466595 SID: 26751897 SID: 90341761
Wikipedia Idazoxan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL10316



ACToR 79944-58-4
BindingDB 50019848
ChEBI 5862
DrugBank DB12551
EPA CompTox Dashboard DTXSID6045161
IBM Patent System 52B2B3E1F52092D4C2860A88BC61B060
KEGG Ligand C10968
LINCS LSM-4350
Nikkaji J33.875C
PubChem 54459
PubChem: Thomson Pharma 15171775
SureChEMBL SCHEMBL114731

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