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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL153479
CHEMBL153479
Compound Name AMBROXOL
ChEMBL Synonyms AMBROXOL | AMBROXOL HYDROCHLORIDE
Max Phase 3
Trade Names
Molecular Formula C13H18Br2N2O

Additional synonyms for CHEMBL153479 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2
Standard InChI InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3- ...
Download InChI
Standard InChI Key JBDGDEWWOUBZPM-XYPYZODXSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL153479

Molecule Features

CHEMBL153479 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
Parkinson DiseaseD010300EFO:0002508Parkinson's disease2ClinicalTrials
CoughD003371HP:0012735Cough2ClinicalTrials
Gaucher DiseaseD005776Orphanet:355Gaucher disease1ClinicalTrials

Clinical Data

ClinicalTrials.gov AMBROXOL
The Cochrane Collaboration AMBROXOL

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 CHEMBL153479. 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
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.665
CHEMBL338 Dopamine transporter Rattus norvegicus 0.615
CHEMBL3367 Methionyl-tRNA synthetase Escherichia coli K-12 0.571
CHEMBL313 Serotonin transporter Rattus norvegicus 0.504

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.990
CHEMBL338 Dopamine transporter Rattus norvegicus 0.896
CHEMBL313 Serotonin transporter Rattus norvegicus 0.851
CHEMBL3367 Methionyl-tRNA synthetase Escherichia coli K-12 0.611
CHEMBL6184 Transporter Rattus norvegicus 0.256
CHEMBL4697 Hexose transporter 1 Plasmodium falciparum 0.231

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
378.1 375.9786 3.19 3 58.28 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 3 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.69 4.57 3.18 1 18 0.71

Structural Alerts

There are 5 structural alerts for CHEMBL153479. To view alerts please click here.

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R05 - COUGH AND COLD PREPARATIONS
R05C - EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
R05CB - Mucolytics
R05CB06 - ambroxol

ChemSpider ChemSpider:JBDGDEWWOUBZPM-XYPYZODXSA-N
PubChem SID: 29215331 SID: 50085991
Wikipedia Ambroxol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL153479



ACToR 18683-91-5
BindingDB 50395322
Brenda 71010
ChEBI 135590
ChemicalBook CB9186114
DrugBank DB06742
DrugCentral 147
eMolecules 534810
EPA CompTox Dashboard DTXSID8022583
FDA SRS 200168S0CL
IBM Patent System 93F103438372AC64B7EE51990CE355FC
LINCS LSM-3260
Mcule MCULE-9463281275
MolPort MolPort-002-507-852
Nikkaji J13.659J
PubChem: Thomson Pharma 14829200
SureChEMBL SCHEMBL18702
ZINC ZINC000100070274

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