Details of the Drug

General Information of Drug (ID: DMUZNIG)

• Drug Name: Troleandomycin
• Synonyms: Aovine; Cyclamycin; Evramicina; Matromicina; Oleandocetin; Oleandocetine; TAO; Treolmicina; Triacetyloleandomycin; Triacetyloleandomycinum; Tribiocillina; Triocetin; Triolan; Troleandomicina; Troleandomycine; Troleandomycinum; Viamicina; Wytrion; Matromycin T; Oleandomycin triacetate; Oleandomycin triacetyl ester; Triacetyl ester of oleandomycin; WY 651; Tao (TN); Tao (VAN); Tekmisin (TN); Treis-Micina; Triacetyloleandomycin (JAN); Triocetin (TN); Troleandomicina [INN-Spanish]; Troleandomycin (TAO); Troleandomycin [USAN:INN]; Troleandomycine [INN-French]; Troleandomycinum [INN-Latin]; Oleandomycin, triacetate (ester); T.A.O; Troleandomycin (USP/INN); T.A.O.

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Approved	[1]

• Therapeutic Class: Antibiotics
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 814
  Topological Polar Surface Area (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 16
• Chemical Identifiers:
  Formula: C41H67NO15
  IUPAC Name: [(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate
  Canonical SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C
  InChI: 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-QTFUVMRISA-N
• Cross-matching ID:
  PubChem CID: 202225
  ChEBI ID: CHEBI:45735
  CAS Number: 2751-09-9
  DrugBank ID: DB13179
  TTD ID: D06IGU
  VARIDT ID: DR00543
  INTEDE ID: DR1652

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial 50S ribosomal RNA (Bact 50S rRNA)	TTUWYEA	NOUNIPROTAC	Binder	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[3]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Troleandomycin (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Remdesivir	DMBFZ6L	Moderate	Increased risk of hepatotoxicity by the combination of Troleandomycin and Remdesivir.	1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019]	[22]
Ivosidenib	DM8S6T7	Major	Decreased metabolism of Troleandomycin caused by Ivosidenib mediated inhibition of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[23]
Oliceridine	DM6MDCF	Major	Decreased metabolism of Troleandomycin caused by Oliceridine mediated inhibition of CYP450 enzyme.	Acute pain [MG31]	[24]
Ripretinib	DM958QB	Major	Decreased metabolism of Troleandomycin caused by Ripretinib mediated inhibition of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[22]
Avapritinib	DMK2GZX	Major	Decreased metabolism of Troleandomycin caused by Avapritinib mediated inhibition of CYP450 enzyme.	Gastrointestinal stromal tumour [2B5B]	[25]
Pemigatinib	DM819JF	Major	Decreased metabolism of Troleandomycin caused by Pemigatinib mediated inhibition of CYP450 enzyme.	Liver cancer [2C12]	[26]
Pralsetinib	DMWU0I2	Major	Decreased metabolism of Troleandomycin caused by Pralsetinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[27]
Selpercatinib	DMZR15V	Major	Decreased metabolism of Troleandomycin caused by Selpercatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[28]
Calaspargase pegol	DMQZBXI	Moderate	Increased risk of hepatotoxicity by the combination of Troleandomycin and Calaspargase pegol.	Malignant haematopoietic neoplasm [2B33]	[29]
Ubrogepant	DM749I3	Major	Decreased metabolism of Troleandomycin caused by Ubrogepant mediated inhibition of CYP450 enzyme.	Migraine [8A80]	[30]
Upadacitinib	DM32B5U	Major	Decreased metabolism of Troleandomycin caused by Upadacitinib mediated inhibition of CYP450 enzyme.	Rheumatoid arthritis [FA20]	[31]
Voxelotor	DMCS6M5	Major	Decreased metabolism of Troleandomycin caused by Voxelotor mediated inhibition of CYP450 enzyme.	Sickle-cell disorder [3A51]	[32]
Larotrectinib	DM26CQR	Major	Decreased metabolism of Troleandomycin caused by Larotrectinib mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[22]
Fluticasone	DMGCSVF	Major	Decreased metabolism of Troleandomycin caused by Fluticasone mediated inhibition of CYP450 enzyme.	Vasomotor/allergic rhinitis [CA08]	[33]

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