Details of the Drug

General Information of Drug (ID: DM1BV7W)

Drug Name

Aliskiren

Synonyms

Rasilez; SPP 100; Rasilez (TN); Tekturna (TN); Aliskiren (USAN/INN); (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide; (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide; (2S,4S,5S,7S)-N-(2-Carbamoyl-2-methylpropyl)-5-amino-4-hydroxy-2,7-diisopropyl-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]octanamide; Octanamide, .delta.-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-.gamma.-hydroxy-4-methoxy-3-(3-methoxypropoxy)-.alpha.,.zeta.-bis(1-methylethyl)-, [.alpha.S-(alpha.R*,.gamma.R*,.delta.R*,.zeta.R*)]

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Approved	[1], [2], [3]

Therapeutic Class

Antihypertensive Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

551.8

Topological Polar Surface Area (xlogp)

3.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 2956.6-3102.5 mcgh/L [4]
Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 593.7-656.5 mcg/L [4]
Absorption Tmax: The time to maximum plasma concentration (Tmax) is 1.1 +/- 0.4 h [4]
BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [5]
Bioavailability: The bioavailability of drug is 10-20% [4]
Clearance: The renal clearance of drug is 1280 +/- 500 mL/h [6]
Elimination: 0.6% radioactivity in the urine and more than 80% in the feces [7]
Half-life: The concentration or amount of drug in body reduced by one-half in 30 - 40 hours [8]
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 7.7672 micromolar/kg/day [9]
Water Solubility: The ability of drug to dissolve in water is measured as 350 mg/mL [5]

Chemical Identifiers

Formula: C30H53N3O6
IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
Canonical SMILES: CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
InChI: InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
InChIKey: UXOWGYHJODZGMF-QORCZRPOSA-N

Cross-matching ID

PubChem CID: 5493444
ChEBI ID: CHEBI:601027
CAS Number: 173334-57-1
DrugBank ID: DB09026
TTD ID: D03SVX
VARIDT ID: DR00061
INTEDE ID: DR0065
ACDINA ID: D00019

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensinogenase renin (REN)	TTB2MXP	RENI_HUMAN	Inhibitor	[10]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic anion transporting polypeptide 2B1 (SLCO2B1)	DTPFTEQ	SO2B1_HUMAN	Substrate	[11]
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[12]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[13]

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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 Disease Different from Aliskiren (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Sarecycline	DMLZNIQ	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Sarecycline .	Acne vulgaris [ED80]	[50]
Arn-509	DMT81LZ	Moderate	Increased metabolism of Aliskiren caused by Arn-509 mediated induction of CYP450 enzyme.	Acute myeloid leukaemia [2A60]	[51]
Gilteritinib	DMWQ4MZ	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Gilteritinib.	Acute myeloid leukaemia [2A60]	[50]
Troleandomycin	DMUZNIG	Moderate	Decreased metabolism of Aliskiren caused by Troleandomycin mediated inhibition of CYP450 enzyme.	Bacterial infection [1A00-1C4Z]	[50]
Erdafitinib	DMI782S	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Erdafitinib.	Bladder cancer [2C94]	[52]
HKI-272	DM6QOVN	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by HKI-272.	Breast cancer [2C60-2C6Y]	[50]
Tucatinib	DMBESUA	Moderate	Decreased metabolism of Aliskiren caused by Tucatinib mediated inhibition of CYP450 enzyme.	Breast cancer [2C60-2C6Y]	[50]
Alpelisib	DMEXMYK	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Alpelisib.	Breast cancer [2C60-2C6Y]	[50]
PF-04449913	DMSB068	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by PF-04449913.	Chronic myelomonocytic leukaemia [2A40]	[50]
MK-8228	DMOB58Q	Moderate	Decreased metabolism of Aliskiren caused by MK-8228 mediated inhibition of CYP450 enzyme.	Cytomegaloviral disease [1D82]	[50]
Ingrezza	DMVPLNC	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Ingrezza.	Dystonic disorder [8A02]	[50]
Stiripentol	DMMSDOY	Moderate	Decreased metabolism of Aliskiren caused by Stiripentol mediated inhibition of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[50]
Daclatasvir	DMSFK9V	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Daclatasvir.	Hepatitis virus infection [1E50-1E51]	[50]
GS-5885	DMSL3DX	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by GS-5885.	Hepatitis virus infection [1E50-1E51]	[50]
GS-9857	DMYU6P5	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by GS-9857.	Hepatitis virus infection [1E50-1E51]	[50]
Cobicistat	DM6L4H2	Moderate	Decreased metabolism of Aliskiren caused by Cobicistat mediated inhibition of CYP450 enzyme.	Human immunodeficiency virus disease [1C60-1C62]	[50]
Suvorexant	DM0E6S3	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Suvorexant.	Insomnia [7A00-7A0Z]	[50]
Brigatinib	DM7W94S	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Brigatinib.	Lung cancer [2C25]	[50]
Ceritinib	DMB920Z	Moderate	Decreased metabolism of Aliskiren caused by Ceritinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[50]
PF-06463922	DMKM7EW	Moderate	Increased metabolism of Aliskiren caused by PF-06463922 mediated induction of CYP450 enzyme.	Lung cancer [2C25]	[53]
Capmatinib	DMYCXKL	Moderate	Decreased metabolism of Aliskiren caused by Capmatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[50]
Selpercatinib	DMZR15V	Moderate	Decreased metabolism of Aliskiren caused by Selpercatinib mediated inhibition of CYP450 enzyme.	Lung cancer [2C25]	[50]
Idelalisib	DM602WT	Moderate	Decreased metabolism of Aliskiren caused by Idelalisib mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[50]
IPI-145	DMWA24P	Moderate	Decreased metabolism of Aliskiren caused by IPI-145 mediated inhibition of CYP450 enzyme.	Mature B-cell leukaemia [2A82]	[50]
Ibrutinib	DMHZCPO	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Ibrutinib.	Mature B-cell lymphoma [2A85]	[51]
Lasmiditan	DMXLVDT	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Lasmiditan.	Migraine [8A80]	[54]
Ozanimod	DMT6AM2	Moderate	Additive hypotensive effects by the combination of Aliskiren and Ozanimod.	Multiple sclerosis [8A40]	[55]
Fedratinib	DM4ZBK6	Moderate	Decreased metabolism of Aliskiren caused by Fedratinib mediated inhibition of CYP450 enzyme.	Myeloproliferative neoplasm [2A20]	[50]
Rolapitant	DM8XP26	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Rolapitant.	Nausea/vomiting [MD90]	[56]
Netupitant	DMEKAYI	Moderate	Decreased metabolism of Aliskiren caused by Netupitant mediated inhibition of CYP450 enzyme.	Nausea/vomiting [MD90]	[50]
Rucaparib	DM9PVX8	Moderate	Decreased metabolism of Aliskiren caused by Rucaparib mediated inhibition of CYP450 enzyme.	Ovarian cancer [2C73]	[57]
Istradefylline	DM20VSK	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Istradefylline.	Parkinsonism [8A00]	[50]
Abametapir	DM2RX0I	Moderate	Decreased metabolism of Aliskiren caused by Abametapir mediated inhibition of CYP450 enzyme.	Pediculosis [1G00]	[58]
Lefamulin	DME6G97	Moderate	Decreased metabolism of Aliskiren caused by Lefamulin mediated inhibition of CYP450 enzyme.	Pneumonia [CA40]	[59]
Voxelotor	DMCS6M5	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by Voxelotor.	Sickle-cell disorder [3A51]	[50]
Telotristat ethyl	DMDIYFZ	Moderate	Increased metabolism of Aliskiren caused by Telotristat ethyl mediated induction of CYP450 enzyme.	Small intestine developmental anomaly [DA90]	[51]
Larotrectinib	DM26CQR	Moderate	Decreased metabolism of Aliskiren caused by Larotrectinib mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[60]
LEE011	DMMX75K	Moderate	Decreased clearance of Aliskiren due to the transporter inhibition by LEE011.	Solid tumour/cancer [2A00-2F9Z]	[50]
Fostamatinib	DM6AUHV	Moderate	Decreased metabolism of Aliskiren caused by Fostamatinib mediated inhibition of CYP450 enzyme.	Thrombocytopenia [3B64]	[61]
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⏷ Show the Full List of 39 DDI Information of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Sodium lauryl sulfate	E00464	3423265	Emulsifying agent; Modified-release agent; Penetration agent; Solubilizing agent; Surfactant; lubricant
Crospovidone	E00626	Not Available	Disintegrant
Dibutyl sebacate	E00160	7986	Plasticizing agent
Eisenoxyd	E00585	56841934	Colorant
Ferric oxide black	E00522	16211978	Colorant
Ferrosoferric oxide	E00231	14789	Colorant
Hypromellose	E00634	Not Available	Coating agent
Magnesium stearate	E00208	11177	lubricant
Polyethylene glycol 4000	E00654	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Povidone	E00667	Not Available	Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Haematite red	E00236	14833	Colorant
Hydrophobic colloidal silica	E00285	24261	Anticaking agent; Emulsion stabilizing agent; Glidant; Suspending agent; Viscosity-controlling agent
Cellulose microcrystalline	E00698	Not Available	Adsorbent; Suspending agent; Diluent
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⏷ Show the Full List of 16 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Aliskiren Hemifumarate eq 150mg base tablet	eq 150mg base	Tablet	Oral
Aliskiren Hemifumarate eq 300mg base tablet	eq 300mg base	Tablet	Oral
Aliskiren Hemifumarate eq 37.5mg base capsule	eq 37.5mg base	Capsule	Oral
Aliskiren 150 mg tablet	150 mg	Oral Tablet	Oral
Aliskiren 300 mg tablet	300 mg	Oral Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

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