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nelfinavir 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
HIV protease inhibitors	1893	159989-64-7

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: nelfinavir viracept nelfinavir mesylate nelfinavir mesilate	A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children. There was some evidence of in vitro activity against SARS-CoV-2, but no clinical trial data was found to support use in the treatment of COVID-19. Molecular weight: 567.79 Formula: C32H45N3O4S CLOGP: 5.84 LIPINSKI: 2 HAC: 7 HDO: 4 TPSA: 101.90 ALOGS: -5.47 ROTB: 10 Status: OFP Legend: OFP - off patent OFM - off market ONP - on patent

Molecule

Description

Molfile Inchi Smiles

Synonyms:

nelfinavir
viracept
nelfinavir mesylate
nelfinavir mesilate

A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children. There was some evidence of in vitro activity against SARS-CoV-2, but no clinical trial data was found to support use in the treatment of COVID-19.

Molecular weight: 567.79
Formula: C32H45N3O4S
CLOGP: 5.84
LIPINSKI: 2
HAC: 7
HDO: 4
TPSA: 101.90
ALOGS: -5.47
ROTB: 10

Status: OFP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

Dose	Unit	Route
2.25	g	O

ADMET properties:

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Property	Value	Reference
MRTD (Maximum Recommended Therapeutic Daily Dose)	62.90 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability)	50 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
BDDCS (Biopharmaceutical Drug Disposition Classification System)	2	Benet LZ, Broccatelli F, Oprea TI

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Approvals:

Date	Agency	Company	Orphan
March 14, 1997	FDA	AGOURON

FDA Adverse Event Reporting System (Female)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Exposure during pregnancy	504.45	48.50	182	1658	155365	63331817
Pregnancy	208.43	48.50	66	1774	36770	63450412
Stillbirth	200.47	48.50	45	1795	6705	63480477
Viral mutation identified	186.49	48.50	34	1806	1776	63485406
Caesarean section	172.82	48.50	48	1792	16984	63470198
Abortion spontaneous	124.75	48.50	48	1792	47147	63440035
Drug resistance	120.88	48.50	39	1801	22894	63464288
Premature baby	120.57	48.50	38	1802	20697	63466485
Foetal exposure during pregnancy	119.59	48.50	42	1798	31920	63455262
Maternal drugs affecting foetus	102.90	48.50	25	1815	5217	63481965

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FDA Adverse Event Reporting System (Male)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Lipodystrophy acquired	500.42	35.44	104	3211	3240	34950376
Mitochondrial toxicity	421.50	35.44	87	3228	2612	34951004
Exposure during pregnancy	379.44	35.44	100	3215	8834	34944782
Progressive external ophthalmoplegia	374.16	35.44	71	3244	1364	34952252
Eyelid ptosis	365.95	35.44	89	3226	5677	34947939
Diplopia	251.48	35.44	84	3231	16759	34936857
Foetal exposure during pregnancy	233.74	35.44	99	3216	38002	34915614
Viral mutation identified	120.06	35.44	32	3283	2922	34950694
Virologic failure	119.46	35.44	33	3282	3447	34950169
Pathogen resistance	116.76	35.44	41	3274	9441	34944175

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FDA Adverse Event Reporting System (Geriatric)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Lipodystrophy acquired	597.91	35.18	111	3397	4214	79736666
Mitochondrial toxicity	501.71	35.18	91	3417	3023	79737857
Progressive external ophthalmoplegia	435.14	35.18	72	3436	1373	79739507
Eyelid ptosis	371.12	35.18	88	3420	10956	79729924
Viral mutation identified	281.03	35.18	58	3450	3800	79737080
Diplopia	258.15	35.18	84	3424	33382	79707498
Exposure during pregnancy	245.68	35.18	109	3399	101023	79639857
Stillbirth	172.47	35.18	39	3469	3916	79736964
Virologic failure	170.22	35.18	39	3469	4152	79736728
Drug resistance	168.53	35.18	65	3443	42148	79698732

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FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

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Source	Code	Description
ATC	J05AE04	ANTIINFECTIVES FOR SYSTEMIC USE ANTIVIRALS FOR SYSTEMIC USE DIRECT ACTING ANTIVIRALS Protease inhibitors
CHEBI has role	CHEBI:35610	antineoplastic agents
CHEBI has role	CHEBI:35660	HIV protease inhibitors
FDA EPC	N0000175889	Protease Inhibitor
FDA MoA	N0000000246	HIV Protease Inhibitors
FDA MoA	N0000190114	Cytochrome P450 3A Inhibitors
MeSH PA	D019380	Anti-HIV Agents
MeSH PA	D000890	Anti-Infective Agents
MeSH PA	D044966	Anti-Retroviral Agents
MeSH PA	D000998	Antiviral Agents

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Drug Use | Suggest Off label Use Form| |View source of the data|

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Disease	Relation	SNOMED_ID	DOID
Human immunodeficiency virus infection	indication	86406008	DOID:526
Depressive disorder	contraindication	35489007
Diarrhea	contraindication	62315008
Diabetes mellitus	contraindication	73211009	DOID:9351
Hyperglycemia	contraindication	80394007	DOID:4195
Hemophilia	contraindication	90935002
Disease of liver	contraindication	235856003	DOID:409
Pregnancy, function	contraindication	289908002
Breastfeeding (mother)	contraindication	413712001

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🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	8.66	acidic
pKa2	11.97	acidic
pKa3	6.63	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
D(1A) dopamine receptor	GPCR	P21728	DRD1_HUMAN	Ki	5.19	DRUG MATRIX
Cytochrome P450 3A4	Enzyme	P08684	CP3A4_HUMAN	IC50	5.70	DRUG MATRIX
Multidrug resistance protein 1	Transporter	P08183	MDR1_HUMAN	IC50	4.70	CHEMBL
Sodium-dependent noradrenaline transporter	Transporter	P23975	SC6A2_HUMAN	Ki	5.06	DRUG MATRIX
Muscarinic acetylcholine receptor M5	GPCR	P08912	ACM5_HUMAN	Ki	4.21	DRUG MATRIX
Beta-3 adrenergic receptor	GPCR	P13945	ADRB3_HUMAN	Ki	4.59	DRUG MATRIX
Sodium-dependent dopamine transporter	Transporter	Q01959	SC6A3_HUMAN	Ki	4.91	DRUG MATRIX
Adenosine receptor A3	GPCR	P0DMS8	AA3R_HUMAN	Ki	5.08	DRUG MATRIX
Kappa-type opioid receptor	GPCR	P41145	OPRK_HUMAN	Ki	4.84	DRUG MATRIX
ATP-binding cassette sub-family G member 2	Transporter	Q9UNQ0	ABCG2_HUMAN	IC50	4.90	CHEMBL

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External reference:

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ID	Source
006408	NDDF
006409	NDDF
108706004	SNOMEDCT_US
108707008	SNOMEDCT_US
11090	IUPHAR_LIGAND_ID
134526	RXNORM
159989-65-8	SECONDARY_CAS_RN
1UN	PDB_CHEM_ID
373445001	SNOMEDCT_US
4021010	VANDF

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Pharmaceutical products:

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Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
VIRACEPT	HUMAN PRESCRIPTION DRUG LABEL	1	52959-289	TABLET, FILM COATED	250 mg	ORAL	NDA	26 sections
Viracept	HUMAN PRESCRIPTION DRUG LABEL	1	53808-0809	TABLET, FILM COATED	625 mg	ORAL	NDA	25 sections
VIRACEPT	HUMAN PRESCRIPTION DRUG LABEL	1	63010-010	TABLET, FILM COATED	250 mg	ORAL	NDA	29 sections
VIRACEPT	HUMAN PRESCRIPTION DRUG LABEL	1	63010-010	TABLET, FILM COATED	250 mg	ORAL	NDA	29 sections
VIRACEPT	HUMAN PRESCRIPTION DRUG LABEL	1	63010-027	TABLET, FILM COATED	625 mg	ORAL	NDA	29 sections
VIRACEPT	HUMAN PRESCRIPTION DRUG LABEL	1	63010-027	TABLET, FILM COATED	625 mg	ORAL	NDA	29 sections

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