Details of the Drug

General Information of Drug (ID: DM2BO9W)

Drug Name
BCP-13498
Synonyms
Propacetamol; Pro-Dafalgan; Propacetamol (INN); Propacetamol [INN:BAN]; Propacetamol [INN]; Propacetamolum; Propacetamolum [Latin]; Tox21_113811; ZINC55161176; (4-acetamidophenyl) 2-(diethylamino)acetate; 5CHW4JMR82; 66532-85-2; AC1L2ALY; AC1Q6199; AKOS015890722; BCP13498; CHEBI:135089; CHEMBL1851805; DB09288; DSSTox_CID_31589; DSSTox_GSID_57800; DSSTox_RID_97473; DTXSID3057800; EINECS 266-390-1; Glycine, N,N-diethyl-, 4-(acetylamino)phenyl ester; N,N-Diethylglycine, ester with 4'-hydroxyacetanilide; SCHEMBL26155; UNII-5CHW4JMR82
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 264.32
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 1 mg/L []
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 15-30 min []
Bioavailability
The bioavailability of drug is 90% []
Elimination
From the elimination rate, 90% of the administered dose is excreted in 24 hours mainly as glucuronide and sulfate conjugates [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 3.6 hours [2]
Metabolism
The drug is metabolized via plasma esterases into N, N-diethylglycine and paracetamol [3]
Vd
The volume of distribution (Vd) of drug is 1.29 L/kg [2]
Chemical Identifiers
Formula
C14H20N2O3
IUPAC Name
(4-acetamidophenyl) 2-(diethylamino)acetate
Canonical SMILES
CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C
InChI
QTGAJCQTLIRCFL-UHFFFAOYSA-N
InChIKey
1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)
Cross-matching ID
PubChem CID
68865
ChEBI ID
CHEBI:135089
CAS Number
66532-85-2
DrugBank ID
DB09288
INTEDE ID
DR1359
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2E1 (CYP2E1) DEVDYN7 CP2E1_HUMAN Substrate [4]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [4]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DEYGVN4 UD11_HUMAN Substrate [5]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [6]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DE85D2P UD19_HUMAN Substrate [7]
Sulfotransferase 2A1 (SULT2A1) DE0P6LK ST2A1_HUMAN Substrate [8]
UDP-glucuronosyltransferase 1A10 (UGT1A10) DEL5N6Y UD110_HUMAN Substrate [9]
UDP-glucuronosyltransferase 1A6 (UGT1A6) DESD26P UD16_HUMAN Substrate [10]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Monograph
2 New zealand perfalgan report
3 Sociedade brasileira de quimica
4 Involvement of human cytochrome P450 2D6 in the bioactivation of acetaminophen. Drug Metab Dispos. 2000 Dec;28(12):1397-400.
5 Paracetamol glucuronidation by recombinant rat and human phenol UDP-glucuronosyltransferases. Biochem Pharmacol. 1993 May 5;45(9):1809-14.
6 Acetaminophen activation by human liver cytochromes P450IIE1 and P450IA2. Arch Biochem Biophys. 1989 Jun;271(2):270-83.
7 Polymorphic expression of UGT1A9 is associated with variable acetaminophen glucuronidation in neonates: a population pharmacokinetic and pharmacogenetic study. Clin Pharmacokinet. 2018 Oct;57(10):1325-1336.
8 Interindividual variability in acetaminophen sulfation by human fetal liver: implications for pharmacogenetic investigations of drug-induced birth defects. Birth Defects Res A Clin Mol Teratol. 2008 Mar;82(3):155-65.
9 UDP-glucuronosyltransferases and clinical drug-drug interactions. Pharmacol Ther. 2005 Apr;106(1):97-132.
10 Human UGT1A6 pharmacogenetics: identification of a novel SNP, characterization of allele frequencies and functional analysis of recombinant allozymes in human liver tissue and in cultured cells. Pharmacogenetics. 2004 Aug;14(8):487-99.