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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL282614
CHEMBL282614
Compound Name ELTOPRAZINE
ChEMBL Synonyms DU-28853 | ELTOPRAZINE
Max Phase 2
Trade Names
Molecular Formula C12H16N2O2

Additional synonyms for CHEMBL282614 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CN(CCN1)c2cccc3OCCOc23
Standard InChI InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8- ...
Download InChI
Standard InChI Key WVLHGCRWEHCIOT-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL282614

Molecule Features

CHEMBL282614 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 ELTOPRAZINE
The Cochrane Collaboration ELTOPRAZINE

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 CHEMBL282614. 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
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.999
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.997
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 0.991
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.986
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.982
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.849
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.839
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 0.813
CHEMBL222 Norepinephrine transporter Homo sapiens 0.811
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.809
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.761
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 0.636
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.517



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.998
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.998
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 0.994
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.983
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.981
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.979
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 0.971
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.963
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.962
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.919
CHEMBL222 Norepinephrine transporter Homo sapiens 0.896
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 0.894
CHEMBL1898 Serotonin 1b (5-HT1b) receptor Homo sapiens 0.890

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
220.3 220.1212 1.2 1 33.73 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
- 8.91 .86 -.37 1 16 0.77

Structural Alerts

There are no structural alerts for CHEMBL282614

Compound Cross References

ChemSpider ChemSpider:WVLHGCRWEHCIOT-UHFFFAOYSA-N
Wikipedia Eltoprazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL282614



ACToR 98224-03-4
BindingDB 50035057
EPA CompTox Dashboard DTXSID5048425
FDA SRS 510M006KO6
IBM Patent System FD0F1697CCD7AA019330698FFA4F0852
MolPort MolPort-005-942-701
Nikkaji J258.510C
PubChem 65853
PubChem: Thomson Pharma 14797935
SureChEMBL SCHEMBL177715
ZINC ZINC000000001347

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