Details of the Drug

General Information of Drug (ID: DM28D05)

Drug Name
Oritavancin
Synonyms
Nuvocid; Oritavancin [INN]; LY333328; Chlorobiphenyl-chloroeremomycin; (3S,6R,7R,22R,23S,26S,36R,38aR)-22-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-mannopyranosyloxy)-3-(carbamoylmethyl)-10,19-dichloro-44-[2-O-[3-(4'-chlorobiphenyl-4-ylmethylamino)-2,3,6-trideoxy-3-C-me; (4''R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-N3''-(4'-chloro[1,1'-biphenyl]-4-ylmethyl)vancomycin; (4''R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabinohexopyranosyl)-N3''-(p-(p-chlorophenyl)benzyl)vancomycin
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Approved [1], [2]
Gram-positive bacterial infection 1B74-1G40 Terminated [3]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 1793.1
Topological Polar Surface Area (xlogp) 1.5
Rotatable Bond Count (rotbonds) 19
Hydrogen Bond Donor Count (hbonddonor) 20
Hydrogen Bond Acceptor Count (hbondacc) 29
ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 2800 mgh/L [4]
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 138 mg/L [4]
Clearance
The renal clearance of drug is 0.457 mL/min [4]
Elimination
Less than 5% of drug is recovered in the urine, and 1% of drug is recovered in the feces [5]
Half-life
The concentration or amount of drug in body reduced by one-half in 245 hours [4]
Metabolism
The drug is not metabolised [6]
Unbound Fraction
The unbound fraction of drug in plasma is 0.13% [7]
Vd
The volume of distribution (Vd) of drug is 87.6 L [4]
Chemical Identifiers
Formula
C86H97Cl3N10O26
IUPAC Name
(1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5R,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-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-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
Canonical SMILES
C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)O)C(=O)O)(C)N)O
InChI
InChI=1S/C86H97Cl3N10O26/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-/m0/s1
InChIKey
VHFGEBVPHAGQPI-LXKZPTCJSA-N
Cross-matching ID
PubChem CID
16136912
ChEBI ID
CHEBI:82699
CAS Number
171099-57-3
DrugBank ID
DB04911
TTD ID
D02IBU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Dihydropteroate synthetase (Bact folP) TT4ILYC DHPS_ECOLI Inhibitor [8]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Oritavancin (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Midostaurin DMI6E0R Moderate Increased metabolism of Oritavancin caused by Midostaurin mediated induction of CYP450 enzyme. Acute myeloid leukaemia [2A60] [17]
Gilteritinib DMWQ4MZ Moderate Increased metabolism of Oritavancin caused by Gilteritinib mediated induction of CYP450 enzyme. Acute myeloid leukaemia [2A60] [18]
Oliceridine DM6MDCF Moderate Increased metabolism of Oritavancin caused by Oliceridine mediated induction of CYP450 enzyme. Acute pain [MG31] [19]
LY2835219 DM93VBZ Moderate Increased metabolism of Oritavancin caused by LY2835219 mediated induction of CYP450 enzyme. Breast cancer [2C60-2C6Y] [20]
Tucatinib DMBESUA Moderate Increased metabolism of Oritavancin caused by Tucatinib mediated induction of CYP450 enzyme. Breast cancer [2C60-2C6Y] [21]
Alpelisib DMEXMYK Moderate Increased metabolism of Oritavancin caused by Alpelisib mediated induction of CYP450 enzyme. Breast cancer [2C60-2C6Y] [22]
Osilodrostat DMIJC9X Moderate Increased metabolism of Oritavancin caused by Osilodrostat mediated induction of CYP450 enzyme. Cushing syndrome [5A70] [23]
Bay 80-6946 DMLOS5R Moderate Increased metabolism of Oritavancin caused by Bay 80-6946 mediated induction of CYP450 enzyme. Follicular lymphoma [2A80] [24]
Tazemetostat DMWP1BH Moderate Increased metabolism of Oritavancin caused by Tazemetostat mediated induction of CYP450 enzyme. Follicular lymphoma [2A80] [25]
Ripretinib DM958QB Moderate Increased metabolism of Oritavancin caused by Ripretinib mediated induction of CYP450 enzyme. Gastrointestinal stromal tumour [2B5B] [26]
Avapritinib DMK2GZX Moderate Increased metabolism of Oritavancin caused by Avapritinib mediated induction of CYP450 enzyme. Gastrointestinal stromal tumour [2B5B] [27]
MK-1439 DM215WE Moderate Increased metabolism of Oritavancin caused by MK-1439 mediated induction of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [28]
Fostemsavir DM50ILT Minor Increased metabolism of Oritavancin caused by Fostemsavir mediated induction of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [29]
Cobicistat DM6L4H2 Moderate Increased metabolism of Oritavancin caused by Cobicistat mediated induction of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [30]
Elvitegravir DMG9B1U Moderate Increased metabolism of Oritavancin caused by Elvitegravir mediated induction of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [26]
Rilpivirine DMJ0QOW Moderate Increased metabolism of Oritavancin caused by Rilpivirine mediated induction of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [26]
ITI-007 DMUQ1DO Major Increased metabolism of Oritavancin caused by ITI-007 mediated induction of CYP450 enzyme. Insomnia [7A00-7A0Z] [31]
Pemigatinib DM819JF Moderate Increased metabolism of Oritavancin caused by Pemigatinib mediated induction of CYP450 enzyme. Liver cancer [2C12] [27]
Crizotinib DM4F29C Moderate Increased metabolism of Oritavancin caused by Crizotinib mediated induction of CYP450 enzyme. Lung cancer [2C25] [32]
Brigatinib DM7W94S Moderate Increased metabolism of Oritavancin caused by Brigatinib mediated induction of CYP450 enzyme. Lung cancer [2C25] [26]
Lurbinectedin DMEFRTZ Moderate Increased metabolism of Oritavancin caused by Lurbinectedin mediated induction of CYP450 enzyme. Lung cancer [2C25] [33]
Capmatinib DMYCXKL Moderate Increased metabolism of Oritavancin caused by Capmatinib mediated induction of CYP450 enzyme. Lung cancer [2C25] [34]
Selpercatinib DMZR15V Moderate Increased metabolism of Oritavancin caused by Selpercatinib mediated induction of CYP450 enzyme. Lung cancer [2C25] [27]
Acalabrutinib DM7GCVW Moderate Increased metabolism of Oritavancin caused by Acalabrutinib mediated induction of CYP450 enzyme. Mature B-cell lymphoma [2A85] [35]
Vemurafenib DM62UG5 Moderate Increased metabolism of Oritavancin caused by Vemurafenib mediated induction of CYP450 enzyme. Melanoma [2C30] [36]
Selumetinib DMC7W6R Moderate Increased metabolism of Oritavancin caused by Selumetinib mediated induction of CYP450 enzyme. Melanoma [2C30] [37]
LGX818 DMNQXV8 Moderate Increased metabolism of Oritavancin caused by LGX818 mediated induction of CYP450 enzyme. Melanoma [2C30] [38]
Ubrogepant DM749I3 Moderate Increased metabolism of Oritavancin caused by Ubrogepant mediated induction of CYP450 enzyme. Migraine [8A80] [39]
Entrectinib DMMPTLH Moderate Increased metabolism of Oritavancin caused by Entrectinib mediated induction of CYP450 enzyme. Non-small cell lung cancer [2C25] [40]
Pimavanserin DMR7IVC Moderate Increased metabolism of Oritavancin caused by Pimavanserin mediated induction of CYP450 enzyme. Parkinsonism [8A00] [41]
Macimorelin DMQYJIR Moderate Increased metabolism of Oritavancin caused by Macimorelin mediated induction of CYP450 enzyme. Pituitary gland disorder [5A60-5A61] [42]
Lefamulin DME6G97 Moderate Increased metabolism of Oritavancin caused by Lefamulin mediated induction of CYP450 enzyme. Pneumonia [CA40] [43]
Lonafarnib DMGM2Z6 Moderate Increased metabolism of Oritavancin caused by Lonafarnib mediated induction of CYP450 enzyme. Premature ageing appearance [LD2B] [44]
Darolutamide DMV7YFT Moderate Increased metabolism of Oritavancin caused by Darolutamide mediated induction of CYP450 enzyme. Prostate cancer [2C82] [45]
Silodosin DMJSBT6 Moderate Increased metabolism of Oritavancin caused by Silodosin mediated induction of CYP450 enzyme. Prostate hyperplasia [GA90] [26]
Temsirolimus DMS104F Moderate Increased metabolism of Oritavancin caused by Temsirolimus mediated induction of CYP450 enzyme. Renal cell carcinoma [2C90] [26]
Larotrectinib DM26CQR Moderate Increased metabolism of Oritavancin caused by Larotrectinib mediated induction of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [26]
LEE011 DMMX75K Moderate Increased metabolism of Oritavancin caused by LEE011 mediated induction of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [26]
Brilinta DMBR01X Moderate Increased metabolism of Oritavancin caused by Brilinta mediated induction of CYP450 enzyme. Thrombosis [DB61-GB90] [30]
Cabozantinib DMIYDT4 Moderate Increased metabolism of Oritavancin caused by Cabozantinib mediated induction of CYP450 enzyme. Thyroid cancer [2D10] [46]
Elagolix DMB2C0E Moderate Increased metabolism of Oritavancin caused by Elagolix mediated induction of CYP450 enzyme. Uterine fibroid [2E86] [47]
⏷ Show the Full List of 41 DDI Information of This Drug

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34 Product Information. Tabrecta (capmatinib). Novartis Pharmaceuticals, East Hanover, NJ.
35 Product Information. Calquence (acalabrutinib). Astra-Zeneca Pharmaceuticals, Wilmington, DE.
36 Product Information. Zelboraf (vemurafenib). Genentech, South San Francisco, CA.
37 Product Information. Koselugo (selumetinib). Astra-Zeneca Pharmaceuticals, Wilmington, DE.
38 Product Information. Braftovi (encorafenib). Array BioPharma Inc., Boulder, CO.
39 Product Information. Ubrelvy (ubrogepant). Allergan Inc, Irvine, CA.
40 Product Information. Rozlytrek (entrectinib). Genentech, South San Francisco, CA.
41 Product Information. Nuplazid (pimavanserin). Accelis Pharma, East Windsor, NJ.
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44 Product Information. Zokinvy (lonafarnib). Eiger BioPharmaceuticals, Palo Alto, CA.
45 Product Information. Nubeqa (darolutamide). Bayer HealthCare Pharmaceuticals Inc., Whippany, NJ.
46 Product Information. Cabometyx (cabozantinib). Exelixis Inc, S San Francisco, CA.
47 Product Information. Orilissa (elagolix). AbbVie US LLC, North Chicago, IL.