tretoquinol 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
quinoline derivatives 2723 30418-38-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • tretoquinol
  • (S)-Trimetoquinol
  • L-Tretoquinol
An adrenergic beta-agonist used as a bronchodilator agent in asthma therapy.
  • Molecular weight: 345.40
  • Formula: C19H23NO5
  • CLOGP: 1.67
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 3
  • TPSA: 80.18
  • ALOGS: -3.54
  • ROTB: 5

Drug dosage:

DoseUnitRoute
9 mg O
0.20 mg P

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 68
kinase-selectivity-class ACVR2A,ACVR2B,ACVRL1,AXL,BRAF,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,IRAK3,MAP2K6,MAPK12,MAPK7,MAPK8,PIK3CB,PIK3CD,PRKDC,SIK2,STK33,TEK,TTK 24
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC R03AC09 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
ADRENERGICS, INHALANTS
Selective beta-2-adrenoreceptor agonists
ATC R03CC09 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
ADRENERGICS FOR SYSTEMIC USE
Selective beta-2-adrenoreceptor agonists
MeSH PA D000318 Adrenergic beta-Agonists
MeSH PA D001993 Bronchodilator Agents
MeSH PA D013566 Sympathomimetics
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018663 Adrenergic Agents
MeSH PA D018927 Anti-Asthmatic Agents
MeSH PA D019141 Respiratory System Agents

Related Drugs by ATC class:

R03AC Selective beta-2-adrenoreceptor agonists 17 drugs
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R03CC Selective beta-2-adrenoreceptor agonists 14 drugs
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Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 9.36 acidic
pKa2 12.89 acidic
pKa3 8.04 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 8.27 PDSP
Beta-2 adrenergic receptor GPCR Ki 7.67 PDSP
Thromboxane A2 receptor GPCR IC50 6.35 CHEMBL
Adrenergic receptor beta GPCR EC50 7.51 CHEMBL
Beta-2 adrenergic receptor GPCR EC50 7.58 CHEMBL
Beta-1 adrenergic receptor GPCR EC50 6.76 CHEMBL
Dopamine receptor GPCR Ki 5.30 CHEMBL
Adrenergic receptor alpha GPCR Ki 5 CHEMBL
Adrenergic receptor beta GPCR Ki 7 CHEMBL

External reference:

IDSource
D08629 KEGG_DRUG
C0040846 UMLSCUI
CHEBI:135461 CHEBI
CHEMBL174984 ChEMBL_ID
DB13692 DRUGBANK_ID
D014213 MESH_DESCRIPTOR_UI
65772 PUBCHEM_CID
2648 INN_ID
JIO3275WGI UNII
008209 NDDF
708662002 SNOMEDCT_US
JIO3275WGI INXIGHT DRUGS

Pharmaceutical products:

None