Details of the Drug

General Information of Drug (ID: DM4MZXE)

Drug Name
Terodiline
Synonyms Bicor; Microl; Mictrol; Micturin; Micturol; Terolin; Terodiline hydrochloride; TD-758
Indication
Disease Entry ICD 11 Status REF
Urinary incontinence MF50.2 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 281.4
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
ADMET Property
Bioavailability
82% of drug becomes completely available to its intended biological destination(s) [2]
Clearance
The drug present in the plasma can be removed from the body at the rate of 1.1 mL/min/kg [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 56 hours [3]
Unbound Fraction
The unbound fraction of drug in plasma is 0.08% [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 5.1 L/kg [3]
Chemical Identifiers
Formula
C20H27N
IUPAC Name
N-tert-butyl-4,4-diphenylbutan-2-amine
Canonical SMILES
CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C)(C)C
InChI
InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3
InChIKey
UISARWKNNNHPGI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
23480
ChEBI ID
CHEBI:135168
CAS Number
15793-40-5
DrugBank ID
DB13725
TTD ID
D0Y3ZP
INTEDE ID
DR1560

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 [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00002359) A Multicenter, Double-Blind, Phase III, Adjuvant-Controlled Study of the Effect of 10 Units of HIV-1 Immunogen (Remune) Compared to Incomplete Freund's Adjuvant (IFA)Alone Every 12 Weeks on AIDS-Free Survival in Subjects With HIV Infection and CD4 T-Lymphocytes Between 300 and 549 Cells/microL Rega. U.S. National Institutes of Health.
2 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.