Details of the Drug

General Information of Drug (ID: DMYURI6)

Drug Name

Raltegravir

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]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

444.4

Topological Polar Surface Area (xlogp)

1.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The drug is absorbed from the gastrointestinal tract [2]
BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 2: low solubility and high permeability [3]
Elimination: The drug is excreted via feces and urine [4]
Half-life: The concentration or amount of drug in body reduced by one-half in 9 hours [5]
Metabolism: The drug is metabolized via the hepatic [2]
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 25.71535 micromolar/kg/day [6]

Chemical Identifiers

Formula: C20H21FN6O5
IUPAC Name: N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
Canonical SMILES: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F
InChI: InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
InChIKey: CZFFBEXEKNGXKS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 54671008
CAS Number: 518048-05-0
DrugBank ID: DB06817
TTD ID: D0I1FQ
INTEDE ID: DR1390
ACDINA ID: D00580

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]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 1A1 (CYP1A1)	DE6OQ3W	CP1A1_HUMAN	Substrate	[7]
UDP-glucuronosyltransferase 1A1 (UGT1A1)_{Main DME}	DEYGVN4	UD11_HUMAN	Substrate	[8]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Raltegravir

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Cobicistat	DM6L4H2	Moderate	Decreased metabolism of Raltegravir caused by Cobicistat mediated inhibition of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[38]
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Coadministration of a Drug Treating the Disease Different from Raltegravir (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Arn-509	DMT81LZ	Moderate	Increased metabolism of Raltegravir caused by Arn-509 mediated induction of UGT.	Acute myeloid leukaemia [2A60]	[39]
Sodium zirconium cyclosilicate	DMCSLZ4	Moderate	Decreased absorption of Raltegravir due to altered gastric pH caused by Sodium zirconium cyclosilicate.	Hyperkalaemia [5C76]	[39]
PF-06463922	DMKM7EW	Moderate	Increased metabolism of Raltegravir caused by PF-06463922 mediated induction of UGT.	Lung cancer [2C25]	[38]
Rucaparib	DM9PVX8	Moderate	Decreased metabolism of Raltegravir caused by Rucaparib mediated inhibition of UGT.	Ovarian cancer [2C73]	[40]
Pitolisant	DM8RFNJ	Moderate	Accelerated clearance of Raltegravir due to the transporter induction by Pitolisant.	Somnolence [MG42]	[39]
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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Aspartame	E00402	134601	Flavoring agent
Butylated hydroxytoluene	E00336	31404	Antioxidant
Mannitol	E00103	6251	Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
Monoammonium glycyrrhizate	E00352	62074	Emulsifying agent; Flavoring agent
Oleic acid	E00421	445639	Emulsifying agent; Penetration agent; Solubilizing agent
Saccharin sodium anhydrous	E00443	656582	Flavoring agent
Sodium stearyl fumarate	E00545	23665634	lubricant
Sucralose	E00370	71485	Flavoring agent
Ammonia	E00007	222	Alkalizing agent
Calcium hydrogenphosphate	E00294	24441	Diluent
Carboxymethylcellulose sodium	E00621	Not Available	Adsorbent; Binding agent; Disintegrant; Emulsifying agent; Suspending agent; Viscosity-controlling agent
Carmellose sodium	E00625	Not Available	Disintegrant
Crospovidone	E00626	Not Available	Disintegrant
Dextrin	E00359	62698	Binding agent; Diluent; Microencapsulating agent; Stiffening agent; Suspending agent; Viscosity-controlling agent
Eisenoxyd	E00585	56841934	Colorant
Ferric hydroxide oxide yellow	E00539	23320441	Colorant
Ferric oxide black	E00522	16211978	Colorant
Ferrosoferric oxide	E00231	14789	Colorant
Fructose	E00447	2723872	Flavoring agent
Hexahydric alcohol	E00083	5780	Diluent; Flavoring agent; Humectant; Plasticizing agent
Hydroxypropyl cellulose	E00632	Not Available	Binding agent; Coating agent; Emulsifying agent; Film/Membrane-forming agent; Modified-release agent; Suspending agent; Viscosity-controlling agent
Hypromellose	E00634	Not Available	Coating agent
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Medium-chain triglyceride	E00640	Not Available	Emollient; Lubricant; Surfactant
Poloxamer 407	E00646	Not Available	Emulsifying agent; Solubilizing agent; Surfactant
Polyethylene glycol 3350	E00652	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polyethylene glycol 400	E00653	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polyvinyl alcohol	E00666	Not Available	Coating agent; Emulsion stabilizing agent; Film/Membrane-forming agent
Saccharose	E00091	5988	Binding agent; Coating agent; Cryoprotectant; Diluent; Flavoring agent; Suspending agent; Viscosity-controlling agent
Sodium citrate dihydrate	E00369	71474	Alkalizing agent; Buffering agent; Complexing agent; Emulsifying agent
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Triacetin	E00080	5541	Humectant; Plasticizing agent; Solvent
Haematite red	E00236	14833	Colorant
Sorbitan tristearate	E00516	17800859	Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant; Suspending agent; Vaccine adjuvant
Ammonium hydroxide	E00687	Not Available	Alkalizing agent
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent
Ethyl cellulose	E00699	Not Available	Coating agent; Microencapsulating agent; Binding agent; Diluent; Viscosity-controlling agent
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⏷ Show the Full List of 39 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Raltegravir 100 mg tablet	100 mg	Chewable Tablet	Oral
Raltegravir 25 mg tablet	25 mg	Chewable Tablet	Oral
Raltegravir 400 mg tablet	400 mg	Oral Tablet	Oral
Raltegravir Potassium eq 100mg base/packet powder	eq 100mg base/packet	Powder	Oral
Raltegravir Potassium eq 25mg base Chewable tablet	eq 25mg base	Chewable Tablet	Oral
Raltegravir Potassium eq 100mg base Chewable tablet	eq 100mg base	Chewable Tablet	Oral
Raltegravir Potassium eq 400mg base tablet	eq 400mg base	Tablet	Oral
Raltegravir Potassium eq 600mg base tablet	eq 600mg base	Tablet	Oral
Raltegravir 600 mg tablet	600 mg	Oral Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

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