Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5933)
Drug Name
Anileridine
Synonyms
Adopol; Alidine; Anileridina; Anileridinum; Apidol; Apodol; Leritin; Nipecotan; Anileridina [INN-Spanish]; Anileridine [INN:BAN]; Anileridinum [INN-Latin]; Leritine (TN); Anileridine (USP/INN); N-beta-(p-Aminophenyl)ethylnormeperidine; Ethyl 1-(4-aminophenethyl)-4-phenylisonipecotate; Ethyl 1-(p-aminophenethyl)-4-phenylisonipecotate; Ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate; Isonipecotic acid, 1-(p-aminophenethyl)-4-phenyl-, ethyl ester; Ethyl 1-(2-(4-aminophenyl)ethyl)-4-phenyl-4-piperidinecarboxylate; N-(beta-(p-Aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidine; 1-(2-(4-Aminophenyl)ethyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester; 1-(p-Aminophenethyl)-4-phenylisonipecotic acid ethyl ester; 1-(p-Aminophenethyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester; 1-[2-(4-Aminophenyl)ethyl]-4-phenyl-4-piperidinecarboxlic acid ethyl ester; 4-Piperidinecarboxylic acid, 1-(2-(4-aminophenyl)ethyl)-4-phenyl-, ethyl ester; 4-Piperidinecarboxylic acid, 1-[2-(4-aminophenyl)ethyl]-4-phenyl-, ethyl ester
Indication Pain [ICD11: MG30-MG3Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 352.5 Topological Polar Surface Area 55.6
Heavy Atom Count 26 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
8944
ChEBI ID
CHEBI:61203
CAS Number
144-14-9
TTD Drug ID
D0X6HD
Formula
C22H28N2O2
Canonical SMILES
CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3
InChIKey
LKYQLAWMNBFNJT-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Acetylanileridine DM016749
154208966
Unclear - Unclear 1 [2]
Normeperidine DM015006
32414
Unclear - Unclear 1 [2]
p-Aminophenylacetic acid DM014962
14533
Unclear - Unclear 2 [2]
Mirabegron M9 metabolite DM004446
2018
Unclear - Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008722 Anileridine Normeperidine Unclear - Unclear Unclear [2]
MR008725 Anileridine Acetylanileridine Unclear - Unclear Unclear [2]
MR008726 Acetylanileridine p-Aminophenylacetic acid Unclear - Unclear Unclear [2]
MR008723 Normeperidine p-Aminophenylacetic acid Unclear - Unclear Unclear [2]
MR008724 P-Aminophenylacetic acid p-Acetylaminophenylacetic Acid Unclear - Unclear Unclear [2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7115).
2 N-dealkylation of anileridine to normeperidine

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