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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 HCl | RX-781094 | Idazoxan
Max Phase 0
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

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

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 no structural alerts for CHEMBL10316

Alternate Forms of Compound in ChEMBL


CHEMBL10316

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 0.999
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.990
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.988
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.978
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.929
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.887
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.674
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.550
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.373
CHEMBL327 Alpha-2a adrenergic receptor Rattus norvegicus 0.359
CHEMBL266 Alpha-2b adrenergic receptor Rattus norvegicus 0.215



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 1.000
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL1916 Alpha-2c 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
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.998
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.996
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.988
CHEMBL326 Alpha-1d adrenergic receptor Rattus norvegicus 0.943
CHEMBL3446 Serotonin 2a (5-HT2a) receptor Bos taurus 0.883
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.869
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.849
CHEMBL327 Alpha-2a adrenergic receptor Rattus norvegicus 0.627
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.596
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.529
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.455
CHEMBL4372 Anthrax lethal factor Bacillus anthracis 0.250
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.211

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
- 11.38 6.32 4.33 1 15 0.74

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
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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