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
Indication
Disease Entry ICD 11 Status REF
Anaesthesia 9A78.6 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 264.32
Topological Polar Surface Area (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 [2]
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 15-30 min [2]
Bioavailability
The bioavailability of drug is 90% [2]
Elimination
From the elimination rate, 90% of the administered dose is excreted in 24 hours mainly as glucuronide and sulfate conjugates [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 3.6 hours [4]
Metabolism
The drug is metabolized via plasma esterases into N, N-diethylglycine and paracetamol [5]
Vd
The volume of distribution (Vd) of drug is 1.29 L/kg [4]
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

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 [6]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [6]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DEYGVN4 UD11_HUMAN Substrate [7]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [8]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DE85D2P UD19_HUMAN Substrate [9]
Sulfotransferase 2A1 (SULT2A1) DE0P6LK ST2A1_HUMAN Substrate [10]
UDP-glucuronosyltransferase 1A10 (UGT1A10) DEL5N6Y UD110_HUMAN Substrate [11]
UDP-glucuronosyltransferase 1A6 (UGT1A6) DESD26P UD16_HUMAN Substrate [12]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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