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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201274
CHEMBL1201274
Compound Name LEVOBETAXOLOL
ChEMBL Synonyms LEVOBETAXOLOL | BETAXON | AL1577A | LEVOBETAXOLOL HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names BETAXON
Molecular Formula C18H29NO3

Additional synonyms for CHEMBL1201274 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Standard InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-1 ...
Download InChI
Standard InChI Key NWIUTZDMDHAVTP-KRWDZBQOSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1201274

Molecule Features

CHEMBL1201274 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Beta-1 adrenergic receptor antagonist Beta-1 adrenergic receptor PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Ocular HypertensionD009798EFO:1001069ocular hypertension3ClinicalTrials
GlaucomaD005901EFO:0000516glaucoma3ClinicalTrials

Clinical Data

ClinicalTrials.gov LEVOBETAXOLOL
The Cochrane Collaboration LEVOBETAXOLOL

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 CHEMBL1201274. 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
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL3465 Sigma opioid receptor Mus musculus 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.997
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.993
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.979
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.971
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.730
CHEMBL240 HERG Homo sapiens 0.686
CHEMBL4394 Sphingosine kinase 1 Homo sapiens 0.454
CHEMBL5203 dUTP pyrophosphatase Homo sapiens 0.434
CHEMBL287 Sigma opioid receptor Homo sapiens 0.255
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.214



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL3465 Sigma opioid receptor Mus musculus 1.000
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.999
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.997
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.997
CHEMBL3427 Dopamine D2 receptor Mus musculus 0.997
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 0.990
CHEMBL4394 Sphingosine kinase 1 Homo sapiens 0.980
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.948
CHEMBL287 Sigma opioid receptor Homo sapiens 0.658
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.336
CHEMBL5203 dUTP pyrophosphatase Homo sapiens 0.324
CHEMBL240 HERG Homo sapiens 0.296

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
307.4 307.2147 2.39 11 50.72 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.89 9.43 2.53 .43 1 22 0.62

Structural Alerts

There are 2 structural alerts for CHEMBL1201274. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NWIUTZDMDHAVTP-KRWDZBQOSA-N
Wikipedia Levobetaxolol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201274



ACToR 93221-48-8
BindingDB 25752
ChEBI 59254
DrugBank DB09351
DrugCentral 4752
eMolecules 901469
EPA CompTox Dashboard DTXSID30239341
FDA SRS 75O9XHA4TU
Guide to Pharmacology 8035
IBM Patent System 709C82C1D82C72E8755CA80D9AC80B49
MolPort MolPort-008-313-770
Nikkaji J387.170C
PubChem 60657
PubChem: Thomson Pharma 14898713 14752035
SureChEMBL SCHEMBL23532
ZINC ZINC000001530567

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