clenbuterol Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
bronchodilators, phenethylamine derivatives 673 37148-27-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • clenbuterol
  • (RS)-Clenbuterol
  • (+/-)-Clenbuterol
  • planipart
  • dl-Clenbuterol
  • clenbuterol hydrochloride
  • clenbuterol HCl
A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.
  • Molecular weight: 277.19
  • Formula: C12H18Cl2N2O
  • CLOGP: 2.39
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 3
  • TPSA: 58.28
  • ALOGS: -3.39
  • ROTB: 4

Drug dosage:

DoseUnitRoute
40 mcg O

ADMET properties:

PropertyValueReference
BA (Bioavailability) 99 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC R03AC14 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
ADRENERGICS, INHALANTS
Selective beta-2-adrenoreceptor agonists
ATC R03CC13 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
ADRENERGICS FOR SYSTEMIC USE
Selective beta-2-adrenoreceptor agonists
ATC R03CC63 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
ADRENERGICS FOR SYSTEMIC USE
Selective beta-2-adrenoreceptor agonists
MeSH PA D018663 Adrenergic Agents
MeSH PA D000322 Adrenergic Agonists
MeSH PA D000318 Adrenergic beta-Agonists
MeSH PA D018927 Anti-Asthmatic Agents
MeSH PA D001993 Bronchodilator Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D019141 Respiratory System Agents
MeSH PA D013566 Sympathomimetics
CHEBI has role CHEBI:35522 beta-adrenergic receptor agonist
CHEBI has role CHEBI:35523 bronchodilator agents
CHEBI has role CHEBI:35524 sympathomimetic

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 9.08 Basic
pKa2 1.84 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Beta-1 adrenergic receptor GPCR Ki 7.16 DRUG MATRIX
5-hydroxytryptamine receptor 1A GPCR Ki 5.82 DRUG MATRIX
Beta-2 adrenergic receptor GPCR Kd 7.80 CHEMBL
Beta-2 adrenergic receptor GPCR Kd 7.44 CHEMBL
5-hydroxytryptamine receptor 1A GPCR IC50 5.58 CHEMBL

External reference:

IDSource
N0000166810 NUI
D01360 KEGG_DRUG
21898-19-1 SECONDARY_CAS_RN
C0008932 UMLSCUI
CHEBI:174690 CHEBI
2783 PUBCHEM_CID
CHEMBL49080 ChEMBL_ID
CHEMBL1330729 ChEMBL_ID
DB01407 DRUGBANK_ID
D002976 MESH_DESCRIPTOR_UI
3264 INN_ID
XTZ6AXU7KN UNII
235955 RXNORM
004338 NDDF
004339 NDDF
418264008 SNOMEDCT_US
425138006 SNOMEDCT_US

Pharmaceutical products:

None