Details of Drug

Drug General Information (ID: D0739)
Drug Name	Grazoprevir
Drug Type	Small molecule
Drug Synonymous	Grazoprevir; 1350514-68-9; MK-5172; MK5172; UNII-8YE81R1X1J; Grazoprevir monohydrate; MK 5172; MK-5172 ANHYDROUS; MK-5172 MONOHYDRATE; 8YE81R1X1J; (1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide; Grazoprevir [INN]; Grazoprevir anhydrous; MK-5172; Grazoprevir; SCHEMBL2175313; CHEMBL2063090; GTPL11573; DTXSID50159234; CHEBI:132975; EX-A2253; BDBM50485492; s3728; ZINC95551509; AKOS030253227; CCG-270451; CS-1374; DB11575; ino[11,12-b]quinoxaline-8-carboxamide; analog 15 [PMID: 24900473]; NCGC00378916-02; AC-29227; AS-55861; HY-15298; D82934; A887766; Zepatier [elbasvir (NS5A inhibitor) + grazoprevir]; Q19786991; (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-((1R,2S)-1-{[(cyclopropylsulfonyl)amino]carbonyl}-2-vinylcyclopropyl)-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide; (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide; (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di; (1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0?,??.0?,??.0??,??]nonacosa-3,5,7,9,11-pentaene-27-carboxamide; (1R,2S)-N-[[[(1R,2R)-2-[5-(3-hydroxy-6-methoxy-2-quinoxalinyl)pentyl]cyclopropyl]oxy]carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-cyclopropanecarboxamide, cyclic (1-->2)-ether;MK-5172; (33R,35S,91R,92R,5S)-5-(tert-butyl)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxamide; oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec Click to Show/Hide
Therapeutic Class	Antiviral Agents
Structure
Structure	3D Structure		2D Structure
Formula	C38H50N6O9S
InChI	InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1
InChIKey	OBMNJSNZOWALQB-NCQNOWPTSA-N
Canonical SMILES	CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1
External Link
	Pubchem ID	44603531
	INTEDE ID	DR0789

Drug-Drug Interaction Network
Sunburst Graph		Legend Information AM002 Affected cellular transport AM004 Affected intra/extra-hepatic metabolism BM010 Transporter inhibition BM017 CYP450 enzyme inhibition BM022 CYP450 enzyme induction
Relation Graph

Full list of drugs interacting with Grazoprevir
Affected cellular transport
	Transporter inhibition					Drug Num: 34
Drug ID		Drug Name	Formula	Pubchem ID	Severity Level		Interaction Detail	REF
D0007		Abiraterone	C24H31NO	132971	Major		Inter Info	[1], [2], [3]
D0109		Artesunate	C19H28O8	6917864	Major		Inter Info	[1], [2], [3]
D0116		Atazanavir	C38H52N6O7	148192	Major		Inter Info	[1], [2], [3]
D0120		Atorvastatin	C33H35FN2O5	60823	Major		Inter Info	[4], [1], [3]
D0303		Cerivastatin	C26H34FNO5	446156	Major		Inter Info	[4], [1], [3]
D0402		Cyclosporine	C62H111N11O12	5284373	Major		Inter Info	[1], [2], [3]
D0406		Dabrafenib	C23H20F3N5O2S2	44462760	Major		Inter Info	[1], [2], [3]
D0408		Daclatasvir	C40H50N8O6	25154714	Major		Inter Info	[1], [2], [3]
D0426		Darunavir	C27H37N3O7S	213039	Major		Inter Info	[1], [2], [3]
D0561		Eltrombopag	C25H22N4O4	135449332	Major		Inter Info	[1], [2], [3]
D0562		Eluxadoline	C32H35N5O5	11250029	Major		Inter Info	[1], [2], [3]
D0686		Fluvastatin	C24H26FNO4	446155	Major		Inter Info	[4], [1], [3]
D0715		Gemfibrozil	C15H22O3	3463	Major		Inter Info	[1], [2], [3]
D0425		Darolutamide	C19H19ClN6O2	67171867	Major		Inter Info	[1], [2], [3]
D0700		Fostemsavir	C25H26N7O8P	11319217	Major		Inter Info	[1], [2], [3]
D1258		Pexidartinib	C20H15ClF3N5	25151352	Major		Inter Info	[1], [2], [3]
D0894		Lapatinib	C29H26ClFN4O4S	208908	Major		Inter Info	[1], [2], [3]
D0903		Lenvatinib	C21H19ClN4O4	9823820	Major		Inter Info	[1], [2], [3]
D1062		Midostaurin	C35H30N4O4	9829523	Major		Inter Info	[1], [2], [3]
D1160		Obeticholic acid	C26H44O4	447715	Major		Inter Info	[1], [2], [3]
D1167		Olaparib	C24H23FN4O3	23725625	Major		Inter Info	[1], [2], [3]
D1232		Pazopanib	C21H23N7O2S	10113978	Major		Inter Info	[1], [2], [3]
D1415		Ritonavir	C37H48N6O5S2	392622	Major		Inter Info	[1], [2], [3]
D1430		Rosuvastatin	C22H28FN3O6S	446157	Major		Inter Info	[4], [1], [3]
D1444		Saquinavir	C38H50N6O5	441243	Major		Inter Info	[1], [2], [3]
D1471		Simeprevir	C38H47N5O7S2	24873435	Major		Inter Info	[1], [2], [3]
D1473		Simvastatin	C25H38O5	54454	Major		Inter Info	[4], [1], [3]
D1541		Telaprevir	C36H53N7O6	3010818	Major		Inter Info	[1], [2], [3]
D1544		Telithromycin	C43H65N5O10	3002190	Major		Inter Info	[1], [2], [3]
D1556		Teriflunomide	C12H9F3N2O2	54684141	Major		Inter Info	[1], [2], [3]
D1592		Tipranavir	C31H33F3N2O5S	54682461	Major		Inter Info	[1], [2], [3]
D0568		Enasidenib	C19H17F6N7O	89683805	Moderate		Inter Info	[4], [9], [10]
D0569		Encorafenib	C22H27ClFN7O4S	50922675	Moderate		Inter Info	[1], [11]
D0577		Entrectinib	C31H34F2N6O2	25141092	Moderate		Inter Info	[4], [1], [12]
Affected intra/extra-hepatic metabolism
	CYP450 enzyme inhibition					Drug Num: 58
Drug ID		Drug Name	Formula	Pubchem ID	Severity Level		Interaction Detail	REF
D0080		Amprenavir	C25H35N3O6S	65016	Major		Inter Info	[1], [3]
D0302		Ceritinib	C28H36ClN5O3S	57379345	Major		Inter Info	[1], [3]
D0349		Clarithromycin	C38H69NO13	84029	Major		Inter Info	[1], [3]
D0375		Cobicistat	C40H53N7O5S2	25151504	Major		Inter Info	[4], [1], [3]
D0386		Conivaptan	C32H26N4O2	151171	Major		Inter Info	[1], [3]
D0439		Delavirdine	C22H28N6O3S	5625	Major		Inter Info	[1], [3]
D0692		Fosamprenavir	C25H36N3O9PS	131536	Major		Inter Info	[1], [3]
D1653		Troleandomycin	C41H67NO15	202225	Major		Inter Info	[1], [3]
D1660		Tucatinib	C26H24N8O2	51039094	Major		Inter Info	[1], [3]
D0789		Idelalisib	C22H18FN7O	11625818	Major		Inter Info	[1], [3]
D0799		Indinavir	C36H47N5O4	5362440	Major		Inter Info	[1], [3]
D0867		Itraconazole	C35H38Cl2N8O4	55283	Major		Inter Info	[1], [3]
D0880		Ketoconazole	C26H28Cl2N4O4	456201	Major		Inter Info	[1], [3]
D0956		Lovastatin	C24H36O5	53232	Major		Inter Info	[4], [1], [3]
D1117		Nefazodone	C25H32ClN5O2	4449	Major		Inter Info	[1], [3]
D1119		Nelfinavir	C32H45N3O4S	64143	Major		Inter Info	[1], [3]
D1315		Posaconazole	C37H42F2N8O4	468595	Major		Inter Info	[1], [3]
D1706		Voriconazole	C16H14F3N5O	71616	Major		Inter Info	[1], [3]
D0066		Amiodarone	C25H29I2NO3	2157	Moderate		Inter Info	[8], [3]
D0100		Aprepitant	C23H21F7N4O3	135413536	Moderate		Inter Info	[8], [3]
D0180		Bicalutamide	C18H14F4N2O4S	2375	Moderate		Inter Info	[8], [3]
D0313		Chloramphenicol	C11H12Cl2N2O5	5959	Moderate		Inter Info	[8], [3]
D0341		Ciprofloxacin	C17H18FN3O3	2764	Moderate		Inter Info	[8], [3]
D0367		Clotrimazole	C22H17ClN2	2812	Moderate		Inter Info	[8], [3]
D0393		Crizotinib	C21H22Cl2FN5O	11626560	Moderate		Inter Info	[8], [3]
D0416		Danazol	C22H27NO2	28417	Moderate		Inter Info	[8], [3]
D0428		Dasatinib	C22H26ClN7O2S	3062316	Moderate		Inter Info	[8], [3]
D0497		Diltiazem	C22H26N2O4S	39186	Moderate		Inter Info	[8], [3]
D0534		Dronedarone	C31H44N2O5S	208898	Moderate		Inter Info	[8], [3]
D0597		Erythromycin	C37H67NO13	12560	Moderate		Inter Info	[8], [3]
D0667		Fluconazole	C13H12F2N6O	3365	Moderate		Inter Info	[8], [3]
D0687		Fluvoxamine	C15H21F3N2O2	5324346	Moderate		Inter Info	[8], [3]
D0693		Fosaprepitant	C23H22F7N4O6P	135413538	Moderate		Inter Info	[8], [3]
D0735		Goldenseal	NA	NA	Moderate		Inter Info	[8], [3]
D0896		Larotrectinib	C21H22F2N6O2	46188928	Moderate		Inter Info	[8], [3]
D0901		Lemborexant	C22H20F2N4O2	56944144	Moderate		Inter Info	[8], [3]
D0906		Letermovir	C29H28F4N4O4	45138674	Moderate		Inter Info	[8], [3]
D1398		Ribociclib	C23H30N8O	44631912	Moderate		Inter Info	[8], [3]
D1709		Voxelotor	C19H19N3O3	71602803	Moderate		Inter Info	[8], [3]
D0740		Grepafloxacin	C19H22FN3O3	72474	Moderate		Inter Info	[8], [3]
D0793		Imatinib	C29H31N7O	5291	Moderate		Inter Info	[8], [3]
D0852		Isavuconazonium	C35H35F2N8O5S+	6918606	Moderate		Inter Info	[8], [3]
D0858		Isoniazid	C6H7N3O	3767	Moderate		Inter Info	[8], [3]
D0869		Ivacaftor	C24H28N2O3	16220172	Moderate		Inter Info	[8], [3]
D0944		Lomitapide	C39H37F6N3O2	9853053	Moderate		Inter Info	[8], [3]
D1057		Miconazole	C18H14Cl4N2O	4189	Moderate		Inter Info	[8], [3]
D1063		Mifepristone	C29H35NO2	55245	Moderate		Inter Info	[1], [13], [14]
D1134		Nifedipine	C17H18N2O6	4485	Moderate		Inter Info	[8], [3]
D1136		Nilotinib	C28H22F3N7O	644241	Moderate		Inter Info	[8], [3]
D1203		Oxycodone	C18H21NO4	5284603	Moderate		Inter Info	[4], [1], [15]
D1214		Palbociclib	C24H29N7O2	5330286	Moderate		Inter Info	[8], [3]
D1383		Ranolazine	C24H33N3O4	56959	Moderate		Inter Info	[8], [3]
D1505		Stiripentol	C14H18O3	5311454	Moderate		Inter Info	[8], [3]
D1524		Suvorexant	C23H23ClN6O2	24965990	Moderate		Inter Info	[8], [3]
D1526		Tacrolimus	C44H69NO12	445643	Moderate		Inter Info	[16], [17], [3]
D1579		Ticagrelor	C23H28F2N6O4S	9871419	Moderate		Inter Info	[8], [3]
D1690		Verapamil	C27H38N2O4	2520	Moderate		Inter Info	[8], [3]
D1714		Zafirlukast	C31H33N3O6S	5717	Moderate		Inter Info	[8], [3]
	CYP450 enzyme induction					Drug Num: 27
Drug ID		Drug Name	Formula	Pubchem ID	Severity Level		Interaction Detail	REF
D0194		Bosentan	C27H29N5O6S	104865	Major		Inter Info	[5], [6], [3]
D0255		Carbamazepine	C15H12N2O	2554	Major		Inter Info	[7], [3]
D0300		Cenobamate	C10H10ClN5O2	11962412	Major		Inter Info	[5], [6], [3]
D0453		Dexamethasone	C22H29FO5	5743	Major		Inter Info	[5], [6], [3]
D0554		Efavirenz	C14H9ClF3NO2	64139	Major		Inter Info	[7], [3]
D0578		Enzalutamide	C21H16F4N4O2S	15951529	Major		Inter Info	[7], [3]
D0628		Etravirine	C20H15BrN6O	193962	Major		Inter Info	[5], [6], [3]
D0697		Fosphenytoin	C16H15N2O6P	56339	Major		Inter Info	[7], [3]
D0095		Apalutamide	C21H15F4N5O2S	24872560	Major		Inter Info	[7], [3]
D0953		Lorlatinib	C21H19FN6O2	71731823	Major		Inter Info	[5], [6], [3]
D1078		Mitotane	C14H10Cl4	4211	Major		Inter Info	[7], [3]
D1081		Modafinil	C15H15NO2S	4236	Major		Inter Info	[5], [6], [3]
D1099		Nafcillin	C21H22N2O5S	8982	Major		Inter Info	[5], [6], [3]
D1265		Phenobarbital	C12H12N2O3	4763	Major		Inter Info	[7], [3]
D1283		Phenytoin	C15H12N2O2	1775	Major		Inter Info	[7], [3]
D1340		Primidone	C12H14N2O2	4909	Major		Inter Info	[7], [3]
D1399		Rifabutin	C46H62N4O11	135398743	Major		Inter Info	[7], [3]
D1400		Rifampicin	C43H58N4O12	135398735	Major		Inter Info	[3]
D1401		Rifapentine	C47H64N4O12	135403821	Major		Inter Info	[7], [3]
D1502		St. John's Wort	NA	NA	Major		Inter Info	[7], [3]
D0178		Bexarotene	C24H28O2	82146	Moderate		Inter Info	[3]
D0225		Butalbital	C11H16N2O3	2481	Moderate		Inter Info	[3]
D0432		Deferasirox	C21H15N3O4	214348	Moderate		Inter Info	[3]
D0639		Felbamate	C11H14N2O4	3331	Moderate		Inter Info	[3]
D1198		Oxcarbazepine	C15H12N2O2	34312	Moderate		Inter Info	[3]
D1652		Troglitazone	C24H27NO5S	5591	Moderate		Inter Info	[3]
D1687		Vemurafenib	C23H18ClF2N3O3S	42611257	Moderate		Inter Info	[3]

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