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

General Information of Drug (ID: DR0876)
Drug Name
Indoramin
Synonyms
Indoramina; Indoramina [INN-Spanish]; Indoramine; Indoramine [INN-French]; Indoraminum [INN-Latin]; JXZZEXZZKAWDSP-UHFFFAOYSA-N; Baratol; INDORAMIN; WY 21901; Wy-21901; 0Z802HMY7H; 26844-12-2; 3-(2-(4-Benzamidopiperid-1-yl)ethyl)indole; BRN 0494035; Benzamide, N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)-; Benzamide, N-(1-(2-indol-3-ylethyl)-4-piperidyl)-; C22H25N3O; CHEMBL279516; EINECS 248-041-5; N-(1-(2-(1H-Indol-3-yl)ethyl)-4-piperidinyl)benzamide; N-(1-(2-Indol-3-ylethyl)-4-piperidyl)benzamide; UNII-0Z802HMY7H
Indication Essential hypertension [ICD11: BA00] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 347.5 Topological Polar Surface Area 48.1
Heavy Atom Count 26 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
33625
PubChem SID
3145511 ; 4954321 ; 7979608 ; 8173213 ; 11393053 ; 14778365 ; 26534678 ; 29217568 ; 34675413 ; 47206378 ; 47227712 ; 47301929 ; 47451424 ; 47747528 ; 47971029 ; 48345790 ; 49671666 ; 49876989 ; 50603739 ; 57311546 ; 85209952 ; 89765137 ; 92270335 ; 103006849 ; 103194521 ; 103941454 ; 104316511 ; 117564550 ; 124638943 ; 125163373 ; 125433253 ; 128343844 ; 134224549 ; 134340978 ; 134997857 ; 135650391 ; 136050062 ; 137248543 ; 141645446 ; 152133947 ; 162185578 ; 179150251 ; 184547504 ; 187071875 ; 198950576 ; 223519058 ; 224810415 ; 226433258 ; 226433259 ; 241046546
ChEBI ID
CHEBI:135470
CAS Number
26844-12-2
TTD Drug ID
D02LHR
Formula
C22H25N3O
Canonical SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43
InChI
1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)
InChIKey
JXZZEXZZKAWDSP-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
6- Hydroxyindoramin DM002565
157294
Oxidation - 6-Hydroxylation 1 [3]
Acid- labile conjugate metabolite DM002567 N. A. Unclear 1 [4]
6-hydroxyindoramin sulphate metabolite DM002566 N. A. Conjugation - Sulphate Conjugation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001204 Indoramin 6- Hydroxyindoramin Oxidation - 6-Hydroxylation Unclear [3]
MR001205 Indoramin Acid- labile conjugate metabolite Unclear Unclear [4]
MR001203 6- Hydroxyindoramin 6-hydroxyindoramin sulphate metabolite Conjugation - Sulphate Conjugation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 National Center for Advancing Translational Science-Inxight: drug (DQ0Z3K8W92)
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 A review of the clinical pharmacokinetics and metabolism of the alpha 1-adrenoceptor antagonist indoramin Xenobiotica. 1990 Dec;20(12):1357-67. doi: 10.3109/00498259009046634.
4 U. S. FDA Label -Indoramin

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