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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 5

Molecular Weight (mw)

1755.6

Logarithm of the Partition Coefficient (xlogp)

-2.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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 []

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

Repurposed Drugs (RPD)

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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	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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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]	[4]
Ivosidenib	DM8S6T7	Major	Increased risk of prolong QT interval by the combination of Telavancin and Ivosidenib.	Acute myeloid leukaemia [2A60]	[5]
Midostaurin	DMI6E0R	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Midostaurin.	Acute myeloid leukaemia [2A60]	[6]
Arn-509	DMT81LZ	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Arn-509.	Acute myeloid leukaemia [2A60]	[7]
Gilteritinib	DMTI0ZO	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Gilteritinib.	Acute myeloid leukaemia [2A60]	[8]
Oliceridine	DM6MDCF	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Oliceridine.	Acute pain [MG31]	[6]
Inotersen	DMJ93CT	Major	Increased risk of nephrotoxicity by the combination of Telavancin and Inotersen.	Amyloidosis [5D00]	[7]
Ivabradine	DM0L594	Major	Increased risk of ventricular arrhythmias by the combination of Telavancin and Ivabradine.	Angina pectoris [BA40]	[7]
Bedaquiline	DM3906J	Major	Increased risk of prolong QT interval by the combination of Telavancin and Bedaquiline.	Antimicrobial drug resistance [MG50-MG52]	[9]
Levalbuterol	DM5YBO1	Moderate	Increased risk of ventricular arrhythmias by the combination of Telavancin and Levalbuterol.	Asthma [CA23]	[10]
Eribulin	DM1DX4Q	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Eribulin.	Breast cancer [2C60-2C6Y]	[6]
Bosutinib	DMTI8YE	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Bosutinib.	Breast cancer [2C60-2C6Y]	[7]
PF-04449913	DMSB068	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and PF-04449913.	Chronic myelomonocytic leukaemia [2A40]	[11]
Olodaterol	DM62B78	Moderate	Increased risk of ventricular arrhythmias by the combination of Telavancin and Olodaterol.	Chronic obstructive pulmonary disease [CA22]	[12]
Vilanterol	DMF5EK1	Moderate	Increased risk of ventricular arrhythmias by the combination of Telavancin and Vilanterol.	Chronic obstructive pulmonary disease [CA22]	[10]
Pasireotide	DMHM7JS	Major	Increased risk of prolong QT interval by the combination of Telavancin and Pasireotide.	Cushing syndrome [5A70]	[6]
Osilodrostat	DMIJC9X	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Osilodrostat.	Cushing syndrome [5A70]	[7]
Deutetrabenazine	DMUPFLI	Moderate	Additive CNS depression effects by the combination of Telavancin and Deutetrabenazine.	Dystonic disorder [8A02]	[13]
Ingrezza	DMVPLNC	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Ingrezza.	Dystonic disorder [8A02]	[14]
Fostemsavir	DM50ILT	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Fostemsavir.	Human immunodeficiency virus disease [1C60-1C62]	[15]
Rilpivirine	DMJ0QOW	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Rilpivirine.	Human immunodeficiency virus disease [1C60-1C62]	[6]
Polyethylene glycol	DM4I1JP	Moderate	Increased risk of ventricular arrhythmias by the combination of Telavancin and Polyethylene glycol.	Irritable bowel syndrome [DD91]	[7]
Crizotinib	DM4F29C	Major	Increased risk of prolong QT interval by the combination of Telavancin and Crizotinib.	Lung cancer [2C25]	[16]
Ceritinib	DMB920Z	Major	Increased risk of prolong QT interval by the combination of Telavancin and Ceritinib.	Lung cancer [2C25]	[6]
Osimertinib	DMRJLAT	Major	Increased risk of prolong QT interval by the combination of Telavancin and Osimertinib.	Lung cancer [2C25]	[17]
Selpercatinib	DMZR15V	Major	Increased risk of prolong QT interval by the combination of Telavancin and Selpercatinib.	Lung cancer [2C25]	[7]
Lumefantrine	DM29GAD	Major	Increased risk of prolong QT interval by the combination of Telavancin and Lumefantrine.	Malaria [1F40-1F45]	[4]
Vemurafenib	DM62UG5	Major	Increased risk of prolong QT interval by the combination of Telavancin and Vemurafenib.	Melanoma [2C30]	[6]
LGX818	DMNQXV8	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and LGX818.	Melanoma [2C30]	[18]
Panobinostat	DM58WKG	Major	Increased risk of prolong QT interval by the combination of Telavancin and Panobinostat.	Multiple myeloma [2A83]	[19]
Siponimod	DM2R86O	Major	Increased risk of ventricular arrhythmias by the combination of Telavancin and Siponimod.	Multiple sclerosis [8A40]	[4]
Fingolimod	DM5JVAN	Major	Increased risk of ventricular arrhythmias by the combination of Telavancin and Fingolimod.	Multiple sclerosis [8A40]	[6]
Ozanimod	DMT6AM2	Major	Increased risk of ventricular arrhythmias by the combination of Telavancin and Ozanimod.	Multiple sclerosis [8A40]	[20]
Entrectinib	DMMPTLH	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Entrectinib.	Non-small cell lung cancer [2C25]	[4]
Rucaparib	DM9PVX8	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Rucaparib.	Ovarian cancer [2C73]	[6]
Triclabendazole	DMPWGBR	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Triclabendazole.	Parasitic worm infestation [1F90]	[6]
Macimorelin	DMQYJIR	Major	Increased risk of prolong QT interval by the combination of Telavancin and Macimorelin.	Pituitary gland disorder [5A60-5A61]	[21]
Lefamulin	DME6G97	Major	Increased risk of prolong QT interval by the combination of Telavancin and Lefamulin.	Pneumonia [CA40]	[22]
Degarelix	DM3O8QY	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Degarelix.	Prostate cancer [2C82]	[7]
Enzalutamide	DMGL19D	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Enzalutamide.	Prostate cancer [2C82]	[7]
Relugolix	DMK7IWL	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Relugolix.	Prostate cancer [2C82]	[7]
LEE011	DMMX75K	Major	Increased risk of prolong QT interval by the combination of Telavancin and LEE011.	Solid tumour/cancer [2A00-2F9Z]	[6]
Triptorelin	DMTK4LS	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Triptorelin.	Solid tumour/cancer [2A00-2F9Z]	[7]
Pitolisant	DM8RFNJ	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Pitolisant.	Somnolence [MG42]	[6]
Lenvatinib	DMB1IU4	Moderate	Increased risk of prolong QT interval by the combination of Telavancin and Lenvatinib.	Thyroid cancer [2D10]	[6]
Cabozantinib	DMIYDT4	Major	Increased risk of prolong QT interval by the combination of Telavancin and Cabozantinib.	Thyroid cancer [2D10]	[7]
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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	A review of drug options in age-related macular degeneration therapy and potential new agents. Expert Opin Pharmacother. 2006 Dec;7(17):2355-68.
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5	Product Information. Tibsovo (ivosidenib). Agios Pharmaceuticals, Cambridge, MA.
6	Canadian Pharmacists Association.
7	Cerner Multum, Inc. "UK Summary of Product Characteristics.".
8	Product Information. Xospata (gilteritinib). Astellas Pharma US, Inc, Deerfield, IL.
9	Product Information. Sirturo (bedaquiline). Janssen Pharmaceuticals, Titusville, NJ.
10	Product Information. Arcapta Neohaler (indacaterol). Novartis Pharmaceuticals, East Hanover, NJ.
11	Product Information. Daurismo (glasdegib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
12	Bengtsson B, Fagerstrom PO "Extrapulmonary effects of terbutaline during prolonged administration." Clin Pharmacol Ther 31 (1982): 726-32. [PMID: 7042176]
13	Product Information. Austedo (deutetrabenazine). Teva Pharmaceuticals USA, North Wales, PA.
14	Product Information. Ingrezza (valbenazine). Neurocrine Biosciences, Inc., San Diego, CA.
15	Product Information. Rukobia (fostemsavir). ViiV Healthcare, Research Triangle Park, NC.
16	Product Information. Xalkori (crizotinib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
17	Product Information. Tagrisso (osimertinib). Astra-Zeneca Pharmaceuticals, Wilmington, DE.
18	Product Information. Braftovi (encorafenib). Array BioPharma Inc., Boulder, CO.
19	Product Information. Farydak (panobinostat). Novartis Pharmaceuticals, East Hanover, NJ.
20	Product Information. Zeposia (ozanimod). Celgene Corporation, Summit, NJ.
21	Product Information. Macrilen (macimorelin). Aeterna Zentaris, Charleston, SC.
22	Product Information. Xenleta (lefamulin). Nabriva Therapeutics US, Inc., King of Prussia, PA.