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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL132966
CHEMBL132966
Compound Name RIVANICLINE
ChEMBL Synonyms TC-02403-12 | RIVANICLINE GALACTARATE | RIVANICLINE | TC-2403
Max Phase 0
Trade Names
Molecular Formula C10H14N2

Additional synonyms for CHEMBL132966 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNCC\C=C\c1cccnc1
Standard InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9, ...
Download InChI
Standard InChI Key JUOSGGQXEBBCJB-GORDUTHDSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL132966

Molecule Features

CHEMBL132966 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 RIVANICLINE
The Cochrane Collaboration RIVANICLINE

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 CHEMBL132966. 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
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.994
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.978
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.951
CHEMBL231 Histamine H1 receptor Homo sapiens 0.866
CHEMBL1744525 Nicotinamide phosphoribosyltransferase Homo sapiens 0.760
CHEMBL2468 Death-associated protein kinase 3 Homo sapiens 0.432
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.308
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.279
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.271



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.923
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.860
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.757
CHEMBL5282 Cytochrome P450 2A6 Homo sapiens 0.699
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.580
CHEMBL231 Histamine H1 receptor Homo sapiens 0.566
CHEMBL1744525 Nicotinamide phosphoribosyltransferase Homo sapiens 0.482
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.246
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.231

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
162.2 162.1157 1.7 4 24.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.03 1.05 -1.46 1 12 0.68

Structural Alerts

There are 2 structural alerts for CHEMBL132966. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JUOSGGQXEBBCJB-GORDUTHDSA-N
PubChem SID: 26752048

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL132966



ACToR 538-79-4 15585-43-0
BindingDB 50061561
DrugBank DB05855
eMolecules 1933976
FDA SRS 6H35LF645A
Guide to Pharmacology 3994
MolPort MolPort-003-848-953
Nikkaji J684.665C J13.674C
PubChem 5310967
PubChem: Thomson Pharma 15171050
SureChEMBL SCHEMBL120434
ZINC ZINC000001543478

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