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

General Information of Drug (ID: DMG6TS2)

• Drug Name: GW873140 Drug Info
• Synonyms: Aplaviroc; Aplaviroc HCl; Aplaviroc hydrochloride; AK 602; AK602; GSK873140; GW 873140; ONO 4128; AK-602; Aplaviroc hydrochloride (USAN); GW-873140; ONO-4128; Benzoic acid, 4-[4-[[1-butyl-3-[(R)-cyclohexylhydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl]phenoxy]-& Soluble CD4; 4-[4-[[(9R)-11-butyl-9-[(R)-cyclohexyl(hydroxy)methyl]-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid; 4-[4-[[(9R)-11-butyl-9-[(R)-cyclohexyl(hydroxy)methyl]-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]benzoic acid hydrochloride; 873140 Compound

Indication

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

• Cross-matching ID:
  PubChem CID: 3001322
  CAS Number: CAS 461443-59-4
  TTD Drug ID: DMG6TS2
  INTEDE Drug ID: DR1794

Molecule-Related Drug Atlas

Drug(s) Targeting C-C chemokine receptor type 5 (CCR5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Maraviroc	DMTL94F	Human immunodeficiency virus infection	1C62	Approved	[4]
Vicriviroc	DMMTW9K	Human immunodeficiency virus infection	1C62	Phase 3	[5]
PRO-140	DMD1FTP	Human immunodeficiency virus infection	1C62	Phase 3	[6]
E-913	DMUHS5Q	Human immunodeficiency virus infection	1C62	Phase 3	[7]
PRO 140	DMCGK6X	Human immunodeficiency virus-1 infection	1C62	Phase 2/3	[8]
INCB9471	DMMWC6F	Infectious disease	1A00-CA43.1	Phase 2a	[7]
Cenicriviroc	DM4V8WF	Human immunodeficiency virus infection	1C62	Phase 2	[9]
BMS-813160	DMKY638	Diabetic nephropathy	GB61.Z	Phase 2	[10]
SB-728-T	DMRWE5D	Human immunodeficiency virus infection	1C62	Phase 2	[11]
PF-232798	DM8T6KQ	Human immunodeficiency virus infection	1C62	Phase 2	[12]

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	[13]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[14]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[15]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[16]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[17]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[18]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[19]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[20]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[14]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[21]

Drug(s) Metabolized By Mephenytoin 4-hydroxylase (CYP2C19)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amoxicillin	DMUYNEI	Acute otitis media	AB00	Approved	[22]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[23]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[24]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[25]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[26]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[27]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[28]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[29]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[30]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[31]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
C-C chemokine receptor type 5 (CCR5)	TT2CEJG	CCR5_HUMAN	Binder	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[3]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[3]

References

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• [19] Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
• [20] The metabolism of zidovudine by human liver microsomes in vitro: formation of 3'-amino-3'-deoxythymidine. Biochem Pharmacol. 1994 Jul 19;48(2):267-76.
• [21] Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
• [22] High-dose rabeprazole/amoxicillin therapy as the second-line regimen after failure to eradicate H. pylori by triple therapy with the usual doses of a proton pump inhibitor, clarithromycin and amoxicillin. Hepatogastroenterology. 2003 Nov-Dec;50(54):2274-8.
• [23] Progesterone and testosterone hydroxylation by cytochromes P450 2C19, 2C9, and 3A4 in human liver microsomes. Arch Biochem Biophys. 1997 Oct 1;346(1):161-9.
• [24] Cytochrome P450 pharmacogenetics and cancer. Oncogene. 2006 Mar 13;25(11):1679-91.
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