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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1668
CHEMBL1668
Compound Name RESCINNAMINE
ChEMBL Synonyms RESCINNAMINE | MODERIL | Cinnasil
Max Phase 4 (Approved)
Trade Names MODERIL | Cinnasil
Molecular Formula C35H42N2O9

Additional synonyms for CHEMBL1668 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@ ...
Download SMILES
Standard InChI InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29( ...
Download InChI
Standard InChI Key SZLZWPPUNLXJEA-QEGASFHISA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1668

Molecule Features

CHEMBL1668 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Synaptic vesicular amine transporter inhibitor Synaptic vesicular amine transporter PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HYPERTENSIOND006973EFO:0000537HYPERTENSION4ATC

Clinical Data

ClinicalTrials.gov RESCINNAMINE
The Cochrane Collaboration RESCINNAMINE

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
634.7 634.289 4.71 11 117.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 1 11 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.26 3.65 3.42 3 46 0.24

Structural Alerts

There are 6 structural alerts for CHEMBL1668. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C02 - ANTIHYPERTENSIVES
C02A - ANTIADRENERGIC AGENTS, CENTRALLY ACTING
C02AA - Rauwolfia alkaloids
C02AA01 - rescinnamine

ChemSpider ChemSpider:SZLZWPPUNLXJEA-QEGASFHISA-N
PubChem SID: 56463114
Wikipedia Rescinnamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1668



ChEBI 28572
DrugCentral 2369
eMolecules 17497595
FDA SRS Q6W1F7DJ2D
Guide to Pharmacology 7098
KEGG Ligand C06540
LINCS LSM-42980
Mcule MCULE-5542552071
Metabolights MTBLC28572
Nikkaji J3.476B
PharmGKB PA164768818
PubChem 5280954
PubChem: Thomson Pharma 14789939
SureChEMBL SCHEMBL181966
ZINC ZINC000004097185

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