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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL677
CHEMBL677
Compound Name LEVONORDEFRIN
ChEMBL Synonyms Nordefrin | Neo-Cobefrin | CORBADRINE | LEVONORDEFRIN
Max Phase 4 (Approved)
Trade Names NEO-COBEFRIN
Molecular Formula C9H13NO3

Additional synonyms for CHEMBL677 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](N)[C@H](O)c1ccc(O)c(O)c1
Standard InChI InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11 ...
Download InChI
Standard InChI Key GEFQWZLICWMTKF-CDUCUWFYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL677

Molecule Features

CHEMBL677 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Adrenergic receptor alpha-2 agonist Adrenergic receptor alpha-2 ISBN

Clinical Data

ClinicalTrials.gov LEVONORDEFRIN
The Cochrane Collaboration LEVONORDEFRIN

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 CHEMBL677. 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
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.999
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.983
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.982
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 0.977
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.941
CHEMBL4031 Beta-3 adrenergic receptor Rattus norvegicus 0.938
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.934
CHEMBL5855 Serine/threonine-protein kinase Nek1 Homo sapiens 0.914
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 0.907
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.735
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.703
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.681
CHEMBL6056 Renin Callithrix jacchus 0.641
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.567
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.524
CHEMBL3997 Insulin-like growth factor binding protein 3 Homo sapiens 0.491
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.446
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.306
CHEMBL2903 Arachidonate 15-lipoxygenase Homo sapiens 0.290



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3754 Beta-2 adrenergic receptor Rattus norvegicus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.999
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.993
CHEMBL4031 Beta-3 adrenergic receptor Rattus norvegicus 0.993
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.992
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.988
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.984
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.920
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.909
CHEMBL5855 Serine/threonine-protein kinase Nek1 Homo sapiens 0.880
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.813
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 0.807
CHEMBL3402 Alkaline phosphatase placental-like Homo sapiens 0.804
CHEMBL6056 Renin Callithrix jacchus 0.616
CHEMBL2622 Aldose reductase Rattus norvegicus 0.576
CHEMBL3997 Insulin-like growth factor binding protein 3 Homo sapiens 0.466
CHEMBL2903 Arachidonate 15-lipoxygenase Homo sapiens 0.438

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
183.2 183.0895 0.32 2 86.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.59 8.4 -.91 -2.78 1 13 0.5

Structural Alerts

There are 2 structural alerts for CHEMBL677. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GEFQWZLICWMTKF-CDUCUWFYSA-N
DailyMed levonordefrin
PubChem SID: 11111073 SID: 11112447 SID: 144205604 SID: 170464794
Wikipedia Levonordefrin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL677



ACToR 829-74-3
ChEBI 10304
DrugBank DB06707
DrugCentral 4482
eMolecules 537412
EPA CompTox Dashboard DTXSID6046349
FDA SRS V008L6478D
Guide to Pharmacology 508
Human Metabolome Database HMDB0015652
IBM Patent System C5C1E93768A165FFACC17BAFE6CEB511
KEGG Ligand C11768
LINCS LSM-6525
Nikkaji J7.129C
PharmGKB PA165958380
PubChem 164739
PubChem: Thomson Pharma 15947283
SureChEMBL SCHEMBL119171
ZINC ZINC000000034157

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