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

General Information of Drug (ID: DMRPU10)

• Drug Name: BMS-488043 Drug Info
• Synonyms: AIDS171276; BMS043; BMS488043; BMS-043; 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Discontinued in Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 507806
  CAS Number: CAS 452296-83-2
  TTD Drug ID: DMRPU10
  INTEDE Drug ID: DR1781

Molecule-Related Drug Atlas

Drug(s) Targeting Human immunodeficiency virus Envelope glycoprotein gp120 (HIV gp120)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fostemsavir	DM50ILT	Human immunodeficiency virus infection	1C62	Approved	[4]
AIDSVAX	DMS2WV3	Human immunodeficiency virus infection	1C62	Phase 3	[5]
Multi-envelope HIV vaccine	DMAGCHE	Human immunodeficiency virus infection	1C62	Phase 1	[6]
Pro 542	DMLOGR3	Human immunodeficiency virus infection	1C62	Discontinued in Phase 2	[7]
PF-821385	DMNZG8T	Human immunodeficiency virus infection	1C62	Preclinical	[8]
CD4 red blood cell electroinsertion	DMIV82T	Discovery agent	N.A.	Investigative	[9]

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	[10]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[11]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[12]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[13]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[14]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[15]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[16]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[17]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[11]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[18]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Envelope glycoprotein gp120 (HIV gp120)	TTBYP1X	ENV_HV1H2	Modulator	[2]

Drug-Metabolizing Enzyme (DME)

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

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800020278)
• [2] The investigations on HIV-1 gp120 bound with BMS-488043 by using docking and molecular dynamics simulations.J Mol Model.2013 Feb;19(2):905-17.
• [3] Antiviral activity, pharmacokinetics, and safety of BMS-488043, a novel oral small-molecule HIV-1 attachment inhibitor, in HIV-1-infected subjects. Antimicrob Agents Chemother. 2011 Feb;55(2):722-8.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2020
• [5] HIV gp120 vaccine - VaxGen: AIDSVAX, AIDSVAX B/B, AIDSVAX B/E, HIV gp120 vaccine - Genentech, HIV gp120 vaccine AIDSVAX - VaxGen, HIV vaccine AIDSVAX - VaxGen. Drugs R D. 2003;4(4):249-53.
• [6] An assessment of the role of chimpanzees in AIDS vaccine research. Altern Lab Anim. 2008 Sep;36(4):381-428.
• [7] Treatment of advanced human immunodeficiency virus type 1 disease with the viral entry inhibitor PRO 542. Antimicrob Agents Chemother. 2004 Feb;48(2):423-9.
• [8] Increased Functional Stability and Homogeneity of Viral Envelope Spikes through Directed Evolution. PLoS Pathog. 2013 February; 9(2): e1003184.
• [9] Red blood cells bearing CD4 bind to gp120 covered plates and aggregate with cells expressing gp120. J Acquir Immune Defic Syndr. 1990;3(11):1041-5.
• [10] Expression levels and activation of a PXR variant are directly related to drug resistance in osteosarcoma cell lines. Cancer. 2007 Mar 1;109(5):957-65.
• [11] Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
• [12] Comprehensive evaluation of tamoxifen sequential biotransformation by the human cytochrome P450 system in vitro: prominent roles for CYP3A and CYP2D6. J Pharmacol Exp Ther. 2004 Sep;310(3):1062-75.
• [13] Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
• [14] Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
• [15] Potent mechanism-based inhibition of CYP3A4 by imatinib explains its liability to interact with CYP3A4 substrates. Br J Pharmacol. 2012 Apr;165(8):2787-98.
• [16] Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
• [17] 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.
• [18] 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.