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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19236
CHEMBL19236
Compound Name MOXONIDINE
ChEMBL Synonyms MOXONIDINE | CYNT | BDF5896 | Moxonidine Hydrochloride | BE5895 | NUCYNT | FISIOTENS | NORCYNT | PHYSIOTENS | NORMATENS
Max Phase 4 (Approved)
Trade Names NORCYNT | NORMATENS | CYNT | FISIOTENS | NUCYNT | PHYSIOTENS
Molecular Formula C9H12ClN5O

Additional synonyms for CHEMBL19236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1nc(C)nc(Cl)c1NC2=NCCN2
Standard InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-1 ...
Download InChI
Standard InChI Key WPNJAUFVNXKLIM-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL19236

Molecule Features

CHEMBL19236 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:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Nischarin agonist Nischarin PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Heart DiseasesD006331EFO:0003777heart disease3ClinicalTrials
HypertensionD006973EFO:0000537hypertension4ATC
ClinicalTrials

Clinical Data

ClinicalTrials.gov MOXONIDINE
The Cochrane Collaboration MOXONIDINE

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 CHEMBL19236. 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
CHEMBL266 Alpha-2b adrenergic receptor Rattus norvegicus 1.000
CHEMBL5221 Nischarin Rattus norvegicus 0.999
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.984
CHEMBL4649 Corticotropin releasing factor receptor 1 Rattus norvegicus 0.365
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.293



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL5221 Nischarin Rattus norvegicus 1.000
CHEMBL266 Alpha-2b adrenergic receptor Rattus norvegicus 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.993
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.666
CHEMBL4649 Corticotropin releasing factor receptor 1 Rattus norvegicus 0.577
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.372

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
241.7 241.073 0.82 2 71.43 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.11 .33 .15 1 16 0.75

Structural Alerts

There are 3 structural alerts for CHEMBL19236. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C02 - ANTIHYPERTENSIVES
C02A - ANTIADRENERGIC AGENTS, CENTRALLY ACTING
C02AC - Imidazoline receptor agonists
C02AC05 - moxonidine

ChemSpider ChemSpider:WPNJAUFVNXKLIM-UHFFFAOYSA-N
PubChem SID: 11111430 SID: 11111431 SID: 144203741 SID: 170466534 SID: 85148350 SID: 90341434
Wikipedia Moxonidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19236



ACToR 75438-57-2
BindingDB 50050093
Brenda 139423
ChEBI 7009
DrugBank DB09242
DrugCentral 1856
eMolecules 1988516
EPA CompTox Dashboard DTXSID5045170
FDA SRS CC6X0L40GW
Human Metabolome Database HMDB0041938
IBM Patent System 8BA51E854BB6C29A59CDC3F472591732
KEGG Ligand C07451
LINCS LSM-3743
MolPort MolPort-003-666-832 MolPort-005-933-594
Nikkaji J32.886C
PubChem 4810
PubChem: Thomson Pharma 14823205 14774068
Selleck moxonidine
SureChEMBL SCHEMBL49143
ZINC ZINC000001854466

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