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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200478
CHEMBL1200478
Compound Name DYCLONINE HYDROCHLORIDE
ChEMBL Synonyms DYCLOCAINE | DYCLONINE HYDROCHLORIDE | DYCLONE
Max Phase 4 (Approved)
Trade Names DYCLONE
Molecular Formula C18H28ClNO2

Additional synonyms for CHEMBL1200478 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2
Standard InChI InChI=1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20) ...
Download InChI
Standard InChI Key KNZADIMHVBBPOA-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1200478

Molecule Features

CHEMBL1200478 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sodium channel alpha subunit blocker Sodium channel alpha subunit DailyMed PubMed PubMed

Clinical Data

ClinicalTrials.gov DYCLONINE HYDROCHLORIDE
The Cochrane Collaboration DYCLONINE HYDROCHLORIDE

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 CHEMBL1200478. 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
CHEMBL4124 Histamine H3 receptor Rattus norvegicus 1.000
CHEMBL264 Histamine H3 receptor Homo sapiens 1.000
CHEMBL3199 Acetylcholinesterase Rattus norvegicus 1.000
CHEMBL206 Estrogen receptor alpha Homo sapiens 1.000
CHEMBL287 Sigma opioid receptor Homo sapiens 0.999
CHEMBL4618 Leukotriene A4 hydrolase Homo sapiens 0.997
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.991
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.957
CHEMBL242 Estrogen receptor beta Homo sapiens 0.900
CHEMBL1075228 Melanin-concentrating hormone receptor 1 Rattus norvegicus 0.878
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.856
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 0.809
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.719
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.698
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.657
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.657
CHEMBL231 Histamine H1 receptor Homo sapiens 0.638
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.562
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.427
CHEMBL344 Melanin-concentrating hormone receptor 1 Homo sapiens 0.335



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4124 Histamine H3 receptor Rattus norvegicus 1.000
CHEMBL264 Histamine H3 receptor Homo sapiens 1.000
CHEMBL4618 Leukotriene A4 hydrolase Homo sapiens 1.000
CHEMBL3199 Acetylcholinesterase Rattus norvegicus 0.999
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.997
CHEMBL287 Sigma opioid receptor Homo sapiens 0.996
CHEMBL1860 Thyroid hormone receptor alpha Homo sapiens 0.975
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.975
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.973
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.968
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.935
CHEMBL231 Histamine H1 receptor Homo sapiens 0.920
CHEMBL242 Estrogen receptor beta Homo sapiens 0.915
CHEMBL5135 Voltage-gated potassium channel subunit Kv7.1 Cavia porcellus 0.893
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.844
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 0.830
CHEMBL1075228 Melanin-concentrating hormone receptor 1 Rattus norvegicus 0.802
CHEMBL3403 Butyrylcholinesterase Rattus norvegicus 0.780
CHEMBL4208 Proteasome component C5 Homo sapiens 0.690
CHEMBL5114 Quinolone resistance protein norA Staphylococcus aureus 0.656

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
289.4 289.2042 3.92 8 29.54 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.68 4.04 2.74 1 21 0.54

Structural Alerts

There are 2 structural alerts for CHEMBL1200478. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KNZADIMHVBBPOA-UHFFFAOYSA-N
PubChem SID: 144204010 SID: 170464776 SID: 26748011 SID: 26748012 SID: 50107329 SID: 50107330 SID: 56422189 SID: 855952

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200478



ACToR 536-43-6
ChEBI 4725
ChemicalBook CB0439886
eMolecules 537621
EPA CompTox Dashboard DTXSID6045323
FDA SRS ZEC193879Q
Mcule MCULE-3987805129
MolPort MolPort-003-666-173 MolPort-000-721-661
PubChem 657369 68304 44657536
PubChem: Thomson Pharma 14874990
Selleck dyclonine-hydrochloride
SureChEMBL SCHEMBL317219

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