Details of the Drug

General Information of Drug (ID: DM58VQX)

Drug Name
Telavancin
Synonyms
telavancinum; telavancina; telavancine; 372151-71-8; UNII-XK134822Z0; CHEBI:71229; XK134822Z0; Telavancin [INN]; HSDB 8194; AC1MIWRX; SCHEMBL8287015; CHEMBL507870; DB06402; LS-192933; T-1455; Telavancin, Antibiotic for Culture Media Use Only; Vancomycin, N3''-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)-
Indication
Disease Entry ICD 11 Status REF
Staphylococcus infection 1B5Y Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 1755.6
Topological Polar Surface Area (xlogp) -2.1
Rotatable Bond Count (rotbonds) 30
Hydrogen Bond Donor Count (hbonddonor) 23
Hydrogen Bond Acceptor Count (hbondacc) 31
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 0.2 mL/min/kg [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 8 +/- 1.5 hours [2]
Unbound Fraction
The unbound fraction of drug in plasma is 0.07% [2]
Vd
The volume of distribution (Vd) of drug is 0.14 L/kg [3]
Chemical Identifiers
Formula
C80H106Cl2N11O27P
IUPAC Name
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(phosphonomethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
Canonical SMILES
CCCCCCCCCCNCCN[C@]1(C[C@@H](O[C@H]([C@H]1O)C)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C(=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)CNCP(=O)(O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)C
InChI
InChI=1S/C80H106Cl2N11O27P/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114)/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-/m0/s1
InChIKey
ONUMZHGUFYIKPM-MXNFEBESSA-N
Cross-matching ID
PubChem CID
3081362
ChEBI ID
CHEBI:71229
CAS Number
372151-71-8
DrugBank ID
DB06402
TTD ID
D0B9JO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Corticotropin-releasing factor receptor 1 (CRHR1) TT7EFHR CRFR1_HUMAN Antagonist [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Staphylococcus infection
ICD Disease Classification 1B5Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Corticotropin-releasing factor receptor 1 (CRHR1) DTT CRHR1 7.70E-01 -0.02 -0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Telavancin (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Remdesivir DMBFZ6L Moderate Decreased renal excretion of Telavancin caused by Remdesivir mediated nephrotoxicity. 1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019] [11]
Ivosidenib DM8S6T7 Major Increased risk of prolong QT interval by the combination of Telavancin and Ivosidenib. Acute myeloid leukaemia [2A60] [12]
Midostaurin DMI6E0R Moderate Increased risk of prolong QT interval by the combination of Telavancin and Midostaurin. Acute myeloid leukaemia [2A60] [13]
Arn-509 DMT81LZ Moderate Increased risk of prolong QT interval by the combination of Telavancin and Arn-509. Acute myeloid leukaemia [2A60] [14]
Gilteritinib DMWQ4MZ Moderate Increased risk of prolong QT interval by the combination of Telavancin and Gilteritinib. Acute myeloid leukaemia [2A60] [15]
Oliceridine DM6MDCF Moderate Increased risk of prolong QT interval by the combination of Telavancin and Oliceridine. Acute pain [MG31] [13]
Inotersen DMJ93CT Major Increased risk of nephrotoxicity by the combination of Telavancin and Inotersen. Amyloidosis [5D00] [14]
Ivabradine DM0L594 Major Increased risk of ventricular arrhythmias by the combination of Telavancin and Ivabradine. Angina pectoris [BA40] [14]
Bedaquiline DM3906J Major Increased risk of prolong QT interval by the combination of Telavancin and Bedaquiline. Antimicrobial drug resistance [MG50-MG52] [16]
Levalbuterol DM5YBO1 Moderate Increased risk of ventricular arrhythmias by the combination of Telavancin and Levalbuterol. Asthma [CA23] [17]
Eribulin DM1DX4Q Moderate Increased risk of prolong QT interval by the combination of Telavancin and Eribulin. Breast cancer [2C60-2C6Y] [13]
Bosutinib DMTI8YE Moderate Increased risk of prolong QT interval by the combination of Telavancin and Bosutinib. Breast cancer [2C60-2C6Y] [14]
PF-04449913 DMSB068 Moderate Increased risk of prolong QT interval by the combination of Telavancin and PF-04449913. Chronic myelomonocytic leukaemia [2A40] [18]
Olodaterol DM62B78 Moderate Increased risk of ventricular arrhythmias by the combination of Telavancin and Olodaterol. Chronic obstructive pulmonary disease [CA22] [19]
Vilanterol DMF5EK1 Moderate Increased risk of ventricular arrhythmias by the combination of Telavancin and Vilanterol. Chronic obstructive pulmonary disease [CA22] [17]
Pasireotide DMHM7JS Major Increased risk of prolong QT interval by the combination of Telavancin and Pasireotide. Cushing syndrome [5A70] [13]
Osilodrostat DMIJC9X Moderate Increased risk of prolong QT interval by the combination of Telavancin and Osilodrostat. Cushing syndrome [5A70] [14]
Deutetrabenazine DMUPFLI Moderate Additive CNS depression effects by the combination of Telavancin and Deutetrabenazine. Dystonic disorder [8A02] [20]
Ingrezza DMVPLNC Moderate Increased risk of prolong QT interval by the combination of Telavancin and Ingrezza. Dystonic disorder [8A02] [21]
Fostemsavir DM50ILT Moderate Increased risk of prolong QT interval by the combination of Telavancin and Fostemsavir. Human immunodeficiency virus disease [1C60-1C62] [22]
Rilpivirine DMJ0QOW Moderate Increased risk of prolong QT interval by the combination of Telavancin and Rilpivirine. Human immunodeficiency virus disease [1C60-1C62] [13]
Polyethylene glycol DM4I1JP Moderate Increased risk of ventricular arrhythmias by the combination of Telavancin and Polyethylene glycol. Irritable bowel syndrome [DD91] [14]
Crizotinib DM4F29C Major Increased risk of prolong QT interval by the combination of Telavancin and Crizotinib. Lung cancer [2C25] [23]
Ceritinib DMB920Z Major Increased risk of prolong QT interval by the combination of Telavancin and Ceritinib. Lung cancer [2C25] [13]
Osimertinib DMRJLAT Major Increased risk of prolong QT interval by the combination of Telavancin and Osimertinib. Lung cancer [2C25] [24]
Selpercatinib DMZR15V Major Increased risk of prolong QT interval by the combination of Telavancin and Selpercatinib. Lung cancer [2C25] [14]
Lumefantrine DM29GAD Major Increased risk of prolong QT interval by the combination of Telavancin and Lumefantrine. Malaria [1F40-1F45] [11]
Vemurafenib DM62UG5 Major Increased risk of prolong QT interval by the combination of Telavancin and Vemurafenib. Melanoma [2C30] [13]
LGX818 DMNQXV8 Moderate Increased risk of prolong QT interval by the combination of Telavancin and LGX818. Melanoma [2C30] [25]
Panobinostat DM58WKG Major Increased risk of prolong QT interval by the combination of Telavancin and Panobinostat. Multiple myeloma [2A83] [26]
Siponimod DM2R86O Major Increased risk of ventricular arrhythmias by the combination of Telavancin and Siponimod. Multiple sclerosis [8A40] [11]
Fingolimod DM5JVAN Major Increased risk of ventricular arrhythmias by the combination of Telavancin and Fingolimod. Multiple sclerosis [8A40] [13]
Ozanimod DMT6AM2 Major Increased risk of ventricular arrhythmias by the combination of Telavancin and Ozanimod. Multiple sclerosis [8A40] [27]
Entrectinib DMMPTLH Moderate Increased risk of prolong QT interval by the combination of Telavancin and Entrectinib. Non-small cell lung cancer [2C25] [11]
Rucaparib DM9PVX8 Moderate Increased risk of prolong QT interval by the combination of Telavancin and Rucaparib. Ovarian cancer [2C73] [13]
Triclabendazole DMPWGBR Moderate Increased risk of prolong QT interval by the combination of Telavancin and Triclabendazole. Parasitic worm infestation [1F90] [13]
Macimorelin DMQYJIR Major Increased risk of prolong QT interval by the combination of Telavancin and Macimorelin. Pituitary gland disorder [5A60-5A61] [28]
Lefamulin DME6G97 Major Increased risk of prolong QT interval by the combination of Telavancin and Lefamulin. Pneumonia [CA40] [29]
Degarelix DM3O8QY Moderate Increased risk of prolong QT interval by the combination of Telavancin and Degarelix. Prostate cancer [2C82] [14]
Enzalutamide DMGL19D Moderate Increased risk of prolong QT interval by the combination of Telavancin and Enzalutamide. Prostate cancer [2C82] [14]
Relugolix DMK7IWL Moderate Increased risk of prolong QT interval by the combination of Telavancin and Relugolix. Prostate cancer [2C82] [14]
LEE011 DMMX75K Major Increased risk of prolong QT interval by the combination of Telavancin and LEE011. Solid tumour/cancer [2A00-2F9Z] [13]
Triptorelin DMTK4LS Moderate Increased risk of prolong QT interval by the combination of Telavancin and Triptorelin. Solid tumour/cancer [2A00-2F9Z] [14]
Pitolisant DM8RFNJ Moderate Increased risk of prolong QT interval by the combination of Telavancin and Pitolisant. Somnolence [MG42] [13]
Lenvatinib DMB1IU4 Moderate Increased risk of prolong QT interval by the combination of Telavancin and Lenvatinib. Thyroid cancer [2D10] [13]
Cabozantinib DMIYDT4 Major Increased risk of prolong QT interval by the combination of Telavancin and Cabozantinib. Thyroid cancer [2D10] [14]
⏷ Show the Full List of 46 DDI Information of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 An FDA phase I clinical trial of quinacrine sterilization (QS). Int J Gynaecol Obstet. 2003 Oct;83 Suppl 2:S45-9.
4 A review of drug options in age-related macular degeneration therapy and potential new agents. Expert Opin Pharmacother. 2006 Dec;7(17):2355-68.
5 Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.
6 Pharma & Vaccines. Product Development Pipeline. April 29 2009.
7 Behavioral, biological, and chemical perspectives on targeting CRF(1) receptor antagonists to treat alcoholism. Drug Alcohol Depend. 2013 Mar 1;128(3):175-86.
8 Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
9 CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
10 Chronic administration of the non-peptide CRH type 1 receptor antagonist antalarmin does not blunt hypothalamic-pituitary-adrenal axis responses to acute immobilization stress. Life Sci. 1999;65(4):PL53-8.
11 Cerner Multum, Inc. "Australian Product Information.".
12 Product Information. Tibsovo (ivosidenib). Agios Pharmaceuticals, Cambridge, MA.
13 Canadian Pharmacists Association.
14 Cerner Multum, Inc. "UK Summary of Product Characteristics.".
15 Product Information. Xospata (gilteritinib). Astellas Pharma US, Inc, Deerfield, IL.
16 Product Information. Sirturo (bedaquiline). Janssen Pharmaceuticals, Titusville, NJ.
17 Product Information. Arcapta Neohaler (indacaterol). Novartis Pharmaceuticals, East Hanover, NJ.
18 Product Information. Daurismo (glasdegib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
19 Bengtsson B, Fagerstrom PO "Extrapulmonary effects of terbutaline during prolonged administration." Clin Pharmacol Ther 31 (1982): 726-32. [PMID: 7042176]
20 Product Information. Austedo (deutetrabenazine). Teva Pharmaceuticals USA, North Wales, PA.
21 Product Information. Ingrezza (valbenazine). Neurocrine Biosciences, Inc., San Diego, CA.
22 Product Information. Rukobia (fostemsavir). ViiV Healthcare, Research Triangle Park, NC.
23 Product Information. Xalkori (crizotinib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
24 Product Information. Tagrisso (osimertinib). Astra-Zeneca Pharmaceuticals, Wilmington, DE.
25 Product Information. Braftovi (encorafenib). Array BioPharma Inc., Boulder, CO.
26 Product Information. Farydak (panobinostat). Novartis Pharmaceuticals, East Hanover, NJ.
27 Product Information. Zeposia (ozanimod). Celgene Corporation, Summit, NJ.
28 Product Information. Macrilen (macimorelin). Aeterna Zentaris, Charleston, SC.
29 Product Information. Xenleta (lefamulin). Nabriva Therapeutics US, Inc., King of Prussia, PA.