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

General Information of Drug (ID: DR5701)
Drug Name	Macrolides
Synonyms	Tylosin; tylosin tartrate; Tilosina; Tylosinum; UNII-YEF4JXN031; Tylosine; Tylocine; Tylan; Tylosin A; 1401-69-0; YEF4JXN031; Fradizine; CHEBI:17658; Vubityl 200; Tylosinum [INN-Latin]; Tylosine [INN-French]; Tilosina [INN-Spanish]; HSDB 7022; EINECS 215-754-8; AI3-29799; SR-05000002057; Tylosin [USP:INN:BAN]; Tylan (TN); Tylosin (USP/INN); AC1NQX0W
Indication	Bacterial infection [ICD11: 1A00-1C4Z]				Approved	[1]
Structure
Structure	3D MOL			2D MOL
Pharmaceutical Properties	Molecular Weight		916.1	Topological Polar Surface Area		239
	Heavy Atom Count		64	Rotatable Bond Count		13
	Hydrogen Bond Donor Count		5	Hydrogen Bond Acceptor Count		18
Cross-matching ID	PubChem CID 5280440 ChEBI ID CHEBI:17658 CAS Number 1401-69-0 TTD Drug ID D0Q6OS Formula C46H77NO17 Canonical SMILES CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC InChI InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 InChIKey WBPYTXDJUQJLPQ-VMXQISHHSA-N

The Predicted Metabolic Roadmap of This Drug

The Full List of Predicted Drug Metabolites (PDM) of This Drug

PDM Name	PDM ID	PubChem ID	Reaction	PDM Level	Biosystem
Macrolides M1	PDM013346	13002842	Hydrolysis - Glycoside hydrolysis	1	Human
Macrolides M2	PDM013347	443502	Hydrolysis - Glycoside hydrolysis	1	Human

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	Has nature already identified all useful antibacterial targets Curr Opin Microbiol. 2008 Oct;11(5):387-92.
2	[Macrolides and ketolides]

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