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

General Information of Drug (ID: DR1652)
Drug Name
Troleandomycin
Synonyms
Treolmicina; Triacetyl ester of oleandomycin; Triacetyloleandomycinum; Triolan; Troleandomicina [INN-Spanish]; Troleandomycin [USAN:INN]; Troleandomycine [INN-French]; Troleandomycinum [INN-Latin]; Aovine; Cyclamycin; J-016795; LS-98282; Matromicina; Matromycin T; Oleandocetin; Oleandomycin, triacetyl-; Prestwick_594; TROLEANDOMYCIN; Tao (VAN); Treis-Micina; Viamicina; WY 651; Wytrion; AC1L2AG5; AI3-50166; C41H67NO14; CTK8G3654; EINECS 220-392-9; GTPL10209; NSC 108166; T.A.O; TAO
Indication Acute upper respiratory infection [ICD11: CA07] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 814 Topological Polar Surface Area 184
Heavy Atom Count 57 Rotatable Bond Count 12
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
17675
PubChem SID
10321565 ; 10584900 ; 49999285 ; 57329847 ; 80395117 ; 104343058 ; 124766284 ; 135269994 ; 163138548 ; 179214401 ; 252401998
CAS Number
2751-09-9
TTD Drug ID
D06IGU
Formula
C41H67NO15
Canonical SMILES
CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C
InChI
1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34+,35-,36-,37+,40-,41+/m0/s1
InChIKey
LQCLVBQBTUVCEQ-GSELTXNRSA-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
Cytochrome P-450-troleandomycin DM002406 N. A. Oxidation - Demethylation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002467 Troleandomycin Cytochrome P-450-troleandomycin Oxidation - Demethylation CYP3A4 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Troleandomycin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Effects of roxithromycin, erythromycin and troleandomycin on their N-demethylation by rat and human cytochrome P450 enzymes. Xenobiotica. 1996 Nov;26(11):1143-53.
3 Inactivation of cytochrome P-450 by a troleandomycin metabolite. Protective role of glutathione J Pharmacol Exp Ther. 1983 Mar;224(3):685-91.

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