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

General Information of Drug (ID: DMLUA9D)

• Drug Name: Simeprevir Drug Info
• Synonyms: TMC436

Indication

Disease Entry	ICD 11	Status	REF
Chronic HCV-1 infection	1E51.1	Approved	[1]
Renal hypoplasia		Approved	[2]

• Therapeutic Class: Antiinfective Agents
• Cross-matching ID:
  PubChem CID: 24873435
  ChEBI ID: CHEBI:134743
  CAS Number: CAS 923604-59-5
  TTD Drug ID: DMLUA9D
  VARIDT Drug ID: DR00014
  INTEDE Drug ID: DR1484
  ACDINA Drug ID: D00623

Molecule-Related Drug Atlas

Drug(s) Targeting Hepatitis C virus Serine protease NS3/4A (HCV NS3/4A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BOCEPREVIR	DMBSHMF	Hepatitis C virus infection	1E51.1	Approved	[7]
Telaprevir	DMMRV29	Hepatitis C virus infection	1E51.1	Approved	[7]
Glecaprevir; pibrentasvir	DMF6Z5T	Hepatitis C virus infection	1E51.1	Approved	[8]

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	[9]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[10]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[11]
Folic Acid	DMEMBJC	Colorectal carcinoma		Approved	[12]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[11]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[11]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[13]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[11]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[14]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[15]

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	[16]
Dinoprostone	DMTYOPD	Medical abortion	JA00.1Z	Approved	[17]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[18]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[19]
Sorafenib	DMS8IFC	Adenocarcinoma	2D40	Approved	[18]
Pravastatin	DM6A0X7	Adult acute monocytic leukemia		Approved	[20]
Mycophenolate mofetil	DMPQAGE	Hepatosplenic T-cell lymphoma		Approved	[21]
Atorvastatin	DMF28YC	Acute coronary syndrome	BA41	Approved	[22]
Cerivastatin	DMXCM7H	Hyperlipidaemia	5C80	Approved	[23]
PITAVASTATIN CALCIUM	DM1UJO0	Dyslipidemia	5C80-5C81	Approved	[20]

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	[24]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[25]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[26]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[27]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[28]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[29]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[30]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[31]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[25]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[32]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatitis C virus Serine protease NS3/4A (HCV NS3/4A)	TTHC7JD	POLG_HCV1	Modulator	[3]

Drug Transporter (DTP)

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

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[6]

References

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• [2] Simeprevir FDA Label
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• [23] FDA Drug Development and Drug Interactions
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• [25] Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
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• [27] Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
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