Details of the Drug

General Information of Drug (ID: DMWJE9D)

Drug Name
Ambroxol
Synonyms
Ambroxol hydrochloride; 23828-92-4; Ambroxol HCl; Mucosolvan; Mucoangin; Ambroxolhydrochloride; cis-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride; UNII-CC995ZMV90; Ambroxol hydrochloride; trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride; Ambroxol Hydrochloride [JAN]; CC995ZMV90; 15942-05-9; Ambroxol hydrochloride (JAN); 2-Amino-3,5-dibromo-N-[trans-4-hydroxycyclohexyl]benzylamine; 4-((2-amino-3,5-dibromobenzyl)amino)cyclohexan-1-ol hydrochloride
Indication
Disease Entry ICD 11 Status REF
Bronchitis CA20 Approved [1]
Coronavirus Disease 2019 (COVID-19) 1D6Y Investigative [2]
ATC Code
R02AD05: Ambroxol
R02AD: Anesthetics, local
R02A: THROAT PREPARATIONS
R02: THROAT PREPARATIONS
R: RESPIRATORY SYSTEM
R05CB06: Ambroxol
R05CB: Mucolytics
R05C: EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
R05: COUGH AND COLD PREPARATIONS
R: RESPIRATORY SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 378.1
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Absorption
The drug is rapidly and completely absorbed []
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [3]
Bioavailability
77% of drug becomes completely available to its intended biological destination(s) [4]
Elimination
8% of drug is excreted from urine in the unchanged form [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 7 - 12 hours [5]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 4.53391 micromolar/kg/day [6]
Water Solubility
The ability of drug to dissolve in water is measured as 10.9 mg/mL [3]
Chemical Identifiers
Formula
C13H18Br2N2O
IUPAC Name
4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol
Canonical SMILES
C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O
InChI
InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2
InChIKey
JBDGDEWWOUBZPM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2132
ChEBI ID
CHEMBL92994
CAS Number
18683-91-5
UNII
200168S0CL
DrugBank ID
DB06742
TTD ID
D03DSR
INTEDE ID
DR0081
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Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The chaperone activity and toxicity of ambroxol on Gaucher cells and normal mice. Brain Dev. 2013 Apr;35(4):317-22.
2 COVID-19: Relief Efforts in China.
3 BDDCS applied to over 900 drugs
4 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
5 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
6 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
7 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.