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
Affected Organisms
Humans and other mammals
ATC Code
N02BE05: BCP-13498
N02BE: Anilides
N02B: OTHER ANALGESICS AND ANTIPYRETICS
N02: ANALGESICS
N: NERVOUS SYSTEM
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
InChI=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)
InChIKey
QTGAJCQTLIRCFL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
68865
ChEBI ID
CHEMBL135089
CAS Number
66532-85-2
UNII
5CHW4JMR82
DrugBank ID
DB09288
INTEDE ID
DR1359
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
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.