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

General Information of Drug (ID: DMYURI6)

• Drug Name: Raltegravir Drug Info
• Synonyms: RGV; MK 0518; Isentress(TM); K-0518; MK-0518; Raltegravir (INN); N-(2-(4-(4-fluorobenzylcarbamoyl); N-((4-Fluorophenyl)methyl)-1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-1-(((5-methyl-1,3,4-oxadiazol-2-yl)carbonyl)amino)ethyl)-6-oxo-4-pyrimidinecarboxamide; RAL

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Approved	[1]

• Cross-matching ID:
  PubChem CID: 54671008
  CAS Number: CAS 518048-05-0
  TTD Drug ID: DMYURI6
  INTEDE Drug ID: DR1390
  ACDINA Drug ID: D00580

Molecule-Related Drug Atlas

Drug(s) Targeting Human immunodeficiency virus Integrase (HIV IN)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dolutegravir	DMCZGRE	Human immunodeficiency virus infection	1C62	Approved	[5]
Elvitegravir	DMG9B1U	Human immunodeficiency virus infection	1C62	Approved	[5]
Bictegravir, emtricitabine and tenofovir alafenamide	DMG0H8K	Human immunodeficiency virus infection	1C62	Approved	[6]
GSK1265744	DMT8J0I	Human immunodeficiency virus infection	1C62	Phase 3	[7]
S-1360	DM9KTSG	Human immunodeficiency virus infection	1C62	Phase 2	[8]
S-364735	DMU7ZMH	Human immunodeficiency virus infection	1C62	Phase 2	[9]
C-2507	DMOFT1V	Human immunodeficiency virus infection	1C62	Phase 1	[10]
Acriflavine	DMKVE8X	Human immunodeficiency virus infection	1C62	Phase 1	[11]
S-265744 LAP	DMDQRWT	Human immunodeficiency virus infection	1C62	Phase 1	[12]
VH4524184	DM1FS0F	Human immunodeficiency virus infection	1C62	Phase 1	[13]

Drug(s) Metabolized By UDP-glucuronosyltransferase 1A1 (UGT1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[14]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[15]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[16]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[17]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[18]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[19]
Mycophenolate mofetil	DMPQAGE	Hepatosplenic T-cell lymphoma		Approved	[20]
Metronidazole	DMTIVEN	Abscess		Approved	[21]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[22]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[23]

Drug(s) Metabolized By Cytochrome P450 1A1 (CYP1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[24]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[25]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[26]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[27]
Oxaliplatin	DMQNWRD	Adenocarcinoma	2D40	Approved	[28]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[29]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[30]
Erythromycin	DM4K7GQ	Acne vulgaris	ED80	Approved	[31]
Riboflavin	DM8YMWE	Acne vulgaris	ED80	Approved	[32]
Mercaptopurine	DMTM2IK	Acute lymphoblastic leukaemia	2A85	Approved	[33]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Integrase (HIV IN)	TT5FH9Y	POL_HV1B1	Modulator	[1]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 1A1 (CYP1A1)	DE6OQ3W	CP1A1_HUMAN	Substrate	[2]
UDP-glucuronosyltransferase 1A1 (UGT1A1) Main DME	DEYGVN4	UD11_HUMAN	Substrate	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
UDP-glucuronosyltransferase 1A9	OTPCHAFX	UD19_HUMAN	Drug Response	[4]

References

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• [23] Identification and preliminary characterization of UDP-glucuronosyltransferases catalyzing formation of ethyl glucuronide. Anal Bioanal Chem. 2014 Apr;406(9-10):2325-32.
• [24] Allelic variants of human cytochrome P450 1A1 (CYP1A1): effect of T461N and I462V substitutions on steroid hydroxylase specificity. Pharmacogenetics. 2000 Aug;10(6):519-30.
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• [32] Disruption of endogenous regulator homeostasis underlies the mechanism of rat CYP1A1 mRNA induction by metyrapone. Biochem J. 1998 Apr 1;331 ( Pt 1):273-81.
• [33] Pharmacogenomics in drug-metabolizing enzymes catalyzing anticancer drugs for personalized cancer chemotherapy. Curr Drug Metab. 2007 Aug;8(6):554-62.