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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL289480
CHEMBL289480
Compound Name RILMENIDINE
ChEMBL Synonyms Rilmenidine Hemifumarate | RILMENIDINE
Max Phase 3
Trade Names
Molecular Formula C10H16N2O

Additional synonyms for CHEMBL289480 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CN=C(NC(C2CC2)C3CC3)O1
Standard InChI InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7- ...
Download InChI
Standard InChI Key CQXADFVORZEARL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL289480

Molecule Features

CHEMBL289480 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HypertensionD006973EFO:0000537hypertension3ATC

Clinical Data

ClinicalTrials.gov RILMENIDINE
The Cochrane Collaboration RILMENIDINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
180.3 180.1263 1.15 3 33.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.88 1.48 .89 0 13 0.71

Structural Alerts

There are no structural alerts for CHEMBL289480

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C02 - ANTIHYPERTENSIVES
C02A - ANTIADRENERGIC AGENTS, CENTRALLY ACTING
C02AC - Imidazoline receptor agonists
C02AC06 - rilmenidine

ChemSpider ChemSpider:CQXADFVORZEARL-UHFFFAOYSA-N
PubChem SID: 104171229 SID: 11111726 SID: 11111727 SID: 11113329 SID: 124881316 SID: 144203805 SID: 170466278 SID: 50103956 SID: 510678 SID: 85231209 SID: 90340708
Wikipedia Rilmenidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL289480



ACToR 54187-04-1
BindingDB 50070328
Brenda 139422
ChEBI 8862
ChemicalBook CB0391076
DrugBank DB11738
DrugCentral 2381
eMolecules 782323
EPA CompTox Dashboard DTXSID3045194
FDA SRS P67IM25ID8
IBM Patent System 01050A08A71A3CB6342A855A1E80351A
KEGG Ligand C11120
LINCS LSM-4253
Nikkaji J23.709D
PubChem 68712
PubChem: Thomson Pharma 14772748
Selleck Rilmenidine
SureChEMBL SCHEMBL114420
ZINC ZINC000000009708

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