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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1288810
CHEMBL1288810
Compound Name LEVODROPROPIZINE
ChEMBL Synonyms LEVODROPROPIZINE
Max Phase 3
Trade Names
Molecular Formula C13H20N2O2

Additional synonyms for CHEMBL1288810 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H](O)CN1CCN(CC1)c2ccccc2
Standard InChI InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2- ...
Download InChI
Standard InChI Key PTVWPYVOOKLBCG-ZDUSSCGKSA-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


CHEMBL1288810

Molecule Features

CHEMBL1288810 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer 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
BronchitisD0019913ClinicalTrials

Clinical Data

ClinicalTrials.gov LEVODROPROPIZINE
The Cochrane Collaboration LEVODROPROPIZINE

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 CHEMBL1288810. 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
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.998
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.997
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.996
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.990
CHEMBL228 Serotonin transporter Homo sapiens 0.978
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.976
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.948
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.918
CHEMBL2413 C-C chemokine receptor type 1 Homo sapiens 0.896
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.888
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.776
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.359



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.999
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.999
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.996
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.991
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.980
CHEMBL228 Serotonin transporter Homo sapiens 0.978
CHEMBL2413 C-C chemokine receptor type 1 Homo sapiens 0.974
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.972
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.966
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.965
CHEMBL1795116 Protein arginine N-methyltransferase 5 Homo sapiens 0.935
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.735
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.706
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.662
CHEMBL2490 Serotonin 2a (5-HT2a) receptor Sus scrofa 0.497
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.291
CHEMBL2967 Dopamine D1 receptor Bos taurus 0.245
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.238

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
236.3 236.1525 0.16 4 46.94 NEUTRAL


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
- 7.02 -.03 -.13 1 17 0.78

Structural Alerts

There are no structural alerts for CHEMBL1288810

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R05 - COUGH AND COLD PREPARATIONS
R05D - COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
R05DB - Other cough suppressants
R05DB27 - levodropropizine

ChemSpider ChemSpider:PTVWPYVOOKLBCG-ZDUSSCGKSA-N
PubChem SID: 11112639

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1288810



ACToR 99291-25-5
ChEBI 82722
ChemicalBook CB1191439 CB7511529
DrugBank DB12472
DrugCentral 1568
eMolecules 2725713
EPA CompTox Dashboard DTXSID8023210
FDA SRS 3O31P6T4G3
IBM Patent System 361F876676C36CD9E41E60E7AD37F8CA
MolPort MolPort-005-934-119
Nikkaji J276.144K
PubChem 65859
PubChem: Drugs of the Future 12013610
PubChem: Thomson Pharma 14798272 15069050
Selleck levodropropizine
SureChEMBL SCHEMBL29043
ZINC ZINC000019594545

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