Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMN3GCH)

• Drug Name: Darunavir Drug Info
• Synonyms: 206361-99-1; TMC114; Prezista; TMC-114; UIC-94017; Darunavirum; TMC 114; Darunavirum [INN-Latin]; UNII-YO603Y8113; AIDS073035; CHEMBL1323; (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE; CHEBI:367163; Darunavir-d9; YO603Y8113; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate; NCGC00168773-01; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl; Darunavirum; Darunavir [USAN]; UIC 94017; Prezista(TM); UIC-96017; Darunavir (USAN/INN); Carbamic acid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester; {(1S,2R)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester; [(S)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-1-((R)-phenylmethyl)-propyl]-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester; N-((1S,2R)-3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-benzylpropyl)((1S,2R,5R)-4,6-dioxabicyclo(330)oct-2-yloxy)carboxamide; [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate; (3-((4-aminobenzenesulfonyl)isobutylamino)-1-benzyl-2-hydroxypropyl)carbamic acid hexahydrofuro(2,3-b)furan-3-yl ester; (3R,3aS,6aR)-Hexahydrofuro(2,3-b)furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N1-isobutylsulfanilamido)propyl)carbamate; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N(1)-isobutylsulfanilamido)propyl)carbamate; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate; (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate; (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-neopentylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Approved	[1]
Human immunodeficiency virus-1 infection	1C62	Phase 3	[2]

• Therapeutic Class: Antiviral Agents
• Cross-matching ID:
  PubChem CID: 213039
  ChEBI ID: CHEBI:367163
  CAS Number: CAS 206361-99-1
  TTD Drug ID: DMN3GCH
  VARIDT Drug ID: DR00514
  INTEDE Drug ID: DR0420
  ACDINA Drug ID: D00170

Molecule-Related Drug Atlas

Drug(s) Targeting Human immunodeficiency virus Protease (HIV PR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Saquinavir	DMG814N	Human immunodeficiency virus infection	1C62	Approved	[8]
Indinavir	DM0T3YH	Human immunodeficiency virus infection	1C62	Approved	[9]
Ritonavir	DMU764S	Human immunodeficiency virus infection	1C62	Approved	[10]
Atazanavir	DMSYRBX	Human immunodeficiency virus infection	1C62	Approved	[11]
Amprenavir	DMLMXE0	Human immunodeficiency virus infection	1C62	Approved	[12]
Tipranavir	DM8HJX6	Human immunodeficiency virus infection	1C62	Approved	[13]
Fosamprenavir	DM4W9B3	Human immunodeficiency virus infection	1C62	Approved	[14]
BI 201335	DM3MXT8	Hepatitis C virus infection	1E51.1	Phase 3	[15]
BMS 650032	DMQI43G	Hepatitis C virus infection	1E51.1	Phase 2	[16]
Danoprevir	DM20MDU	Hepatitis C virus infection	1E51.1	Phase 2	[17]

Drug(s) Transported By P-glycoprotein 1 (ABCB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amoxicillin	DMUYNEI	Acute otitis media	AB00	Approved	[18]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[19]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[20]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[21]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[20]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[20]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[22]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[20]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[23]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[24]

Drug(s) Transported By Organic anion transporting polypeptide 1B1 (SLCO1B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[25]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[5]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[26]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[27]
Sorafenib	DMS8IFC	Adenocarcinoma	2D40	Approved	[26]
Pravastatin	DM6A0X7	Adult acute monocytic leukemia		Approved	[28]
Mycophenolate mofetil	DMPQAGE	Hepatosplenic T-cell lymphoma		Approved	[29]
Atorvastatin	DMF28YC	Acute coronary syndrome	BA41	Approved	[30]
Cerivastatin	DMXCM7H	Hyperlipidaemia	5C80	Approved	[31]
PITAVASTATIN CALCIUM	DM1UJO0	Dyslipidemia	5C80-5C81	Approved	[28]

Drug(s) Transported By Organic anion transporting polypeptide 1A2 (SLCO1A2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[32]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[33]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[34]
Atorvastatin	DMF28YC	Acute coronary syndrome	BA41	Approved	[35]
PITAVASTATIN CALCIUM	DM1UJO0	Dyslipidemia	5C80-5C81	Approved	[36]
Rosuvastatin	DMMIQ7G	Arteriosclerosis	BD40	Approved	[37]
Saquinavir	DMG814N	Human immunodeficiency virus infection	1C62	Approved	[38]
Enalapril	DMNFUZR	Congestive heart failure	BD10	Approved	[39]
Cholic Acid	DM7OKQV	Cholelithiasis	DC11	Approved	[40]
Liothyronine	DM6IR3P	Congenital hypothyroidism		Approved	[41]

Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[42]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[43]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[44]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[45]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[46]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[47]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[48]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[49]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[43]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[50]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Protease (HIV PR)	TT5FNQT	POL_HV1B1	Modulator	[3]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic anion transporting polypeptide 1A2 (SLCO1A2)	DTE2B1D	SO1A2_HUMAN	Substrate	[4]
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DT3D8F0	SO1B1_HUMAN	Substrate	[5]
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[6]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[7]

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