Details of the Drug

General Information of Drug (ID: DMJW0VS)

Drug Name
Tilidine
Synonyms
Valoron; Tilidine hydrochloride hemihydrate; 255733-17-6; Tilidine hydrochloride hemihydrate [EP]; DTXSID70180262; Ethyl (1RS,2SR)-2-(dimethylamino)-1-phenylcyclohex-3-enecarboxylate hydrochloride hemihydrate; 3-Cyclohexene-1-carboxylic acid, 2-(dimethylamino)-1-phenyl-, ethyl ester, hydrochloride, hydrate (2:2:1), (1R,2S)-rel-; UNII-Y757T3419R component WHYVWQHDUOALSV-UMJMSJQKSA-N
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Approved [1]
ATC Code
N02AX01: Tilidine
N02AX: Other opioids
N02A: OPIOIDS
N02: ANALGESICS
N: NERVOUS SYSTEM
N02AX01: Tilidine
N02AX: Other opioids
N02A: OPIOIDS
N02: ANALGESICS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 273.37
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Bioavailability
90% of drug becomes completely available to its intended biological destination(s) [3]
Clearance
The drug present in the plasma can be removed from the body at the rate of 16 mL/min/kg [4]
Elimination
0.1% of drug is excreted from urine in the unchanged form [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 5 hours [4]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 9.1917 micromolar/kg/day [5]
Unbound Fraction
The unbound fraction of drug in plasma is 0.21% [4]
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 4 L/kg [4]
Chemical Identifiers
Formula
C17H23NO2
IUPAC Name
ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
Canonical SMILES
CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m1/s1
InChIKey
WDEFBBTXULIOBB-WBVHZDCISA-N
Cross-matching ID
PubChem CID
30131
ChEBI ID
CHEMBL77822
CAS Number
51931-66-9
UNII
GY33N31E9Y
DrugBank ID
DB13787
TTD ID
D0U9MR
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor (OPR) TTN4QDT NOUNIPROTAC Modulator [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 BDDCS applied to over 900 drugs
3 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
4 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5 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
6 Actions of tilidine and nortilidine on cloned opioid receptors. Eur J Pharmacol. 2005 Jan 4;506(3):205-8.