Details of the Drug

General Information of Drug (ID: )

Drug Name
Synonyms
Indication
Disease Entry ICD 11 Status REF
Chronic obstructive pulmonary disease CA22 Phase 3 [1]
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw)
Logarithm of the Partition Coefficient (xlogp)
Rotatable Bond Count (rotbonds)
Hydrogen Bond Donor Count (hbonddonor)
Hydrogen Bond Acceptor Count (hbondacc)
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]
Clearance
The drug present in the plasma can be removed from the body at the rate of 12.6 mL/min/kg [3]
Elimination
74% of drug is excreted from urine in the unchanged form [2]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.00052 micromolar/kg/day [4]
Unbound Fraction
The unbound fraction of drug in plasma is 0.28% [3]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 32 L/kg [3]
Cross-matching ID

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [5]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [6]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Muscarinic acetylcholine receptor M1 (CHRM1) OTKW3E6B ACM1_HUMAN Protein Interaction/Cellular Processes [7]
Muscarinic acetylcholine receptor M2 (CHRM2) OTUMZ2WR ACM2_HUMAN Protein Interaction/Cellular Processes [7]
Muscarinic acetylcholine receptor M3 (CHRM3) OTKSD095 ACM3_HUMAN Protein Interaction/Cellular Processes [7]
Muscarinic acetylcholine receptor M4 (CHRM4) OTF0F0FF ACM4_HUMAN Protein Interaction/Cellular Processes [7]
Muscarinic acetylcholine receptor M5 (CHRM5) OTNQRQGG ACM5_HUMAN Protein Interaction/Cellular Processes [7]
Serum paraoxonase/arylesterase 1 (PON1) OTD0Z2XO PON1_HUMAN Gene/Protein Processing [8]
Tumor necrosis factor (TNF) OT4IE164 TNFA_HUMAN Protein Interaction/Cellular Processes [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Olodaterol + tiotropium bromide for the treatment of chronic obstructive pulmonary disease. Expert Rev Clin Pharmacol. 2015 Aug 13:1-11.
2 BDDCS applied to over 900 drugs
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 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
5 Tiotropium bromide. A review of its use as maintenance therapy in patients with COPD. Treat Respir Med. 2004;3(4):247-68.
6 Tiotropium rromide/olodaterol (Stiolto Respimat): once-daily combination therapy for the maintenance of COPD. P T. 2016 Feb;41(2):97-102.
7 Inhalation by design: novel tertiary amine muscarinic M? receptor antagonists with slow off-rate binding kinetics for inhaled once-daily treatment of chronic obstructive pulmonary disease. J Med Chem. 2011 Oct 13;54(19):6888-904. doi: 10.1021/jm200884j. Epub 2011 Sep 20.
8 Association of human serum paraoxonase-1 with some respiratory drugs. J Biochem Mol Toxicol. 2019 Dec;33(12):e22407. doi: 10.1002/jbt.22407. Epub 2019 Oct 3.
9 Inhibition of granulocyte migration by tiotropium bromide. Respir Res. 2011 Feb 27;12(1):24. doi: 10.1186/1465-9921-12-24.