NELFINAVIR MESYLATE

Search structure


Trade Names:	VIRACEPT
Synonyms:	AG-1343 AG1343 Nelfinaviri mesilas Nelfinavir mesilate Nelfinavir mesylate Nelfinavir methanesulfonate Viracept
Status:	Approved (1997)
Entry Type:	Small molecule
Molecule Category:	Salt
UNII:	98D603VP8V
Parent Compound:	NELFINAVIR

Structure


InChI Key	NQHXCOAXSHGTIA-SKXNDZRYSA-N
Smile	CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
InChI	InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C33H49N3O7S2
Molecular Weight	663.9
AlogP	4.75
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	101.9
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	40.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Human immunodeficiency virus type 1 protease inhibitor	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily	-	-	-	2	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
AIDS-Associated Nephropathy	3	D016263	ClinicalTrials
Sarcoma, Kaposi	2	D012514	ClinicalTrials
Sarcoma	2	D012509	ClinicalTrials
Multiple Myeloma	1	D009101	ClinicalTrials
Neoplasms	1	D009369	ClinicalTrials
Liposarcoma	1	D008080	ClinicalTrials
Central Nervous System Neoplasms	1	D016543	ClinicalTrials
Lung Neoplasms	1	D008175	ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution

System Organ Classification (SOC)

	Relative Frequency (%)
Nervous system disorders	12.43
Injury, poisoning and procedural complications	11.54
Congenital, familial and genetic disorders	11.24
Eye disorders	11.24
Pregnancy, puerperium and perinatal conditions	10.95
Metabolism and nutrition disorders	6.8
General disorders and administration site conditions	5.62
Gastrointestinal disorders	3.55
Renal and urinary disorders	3.25
Musculoskeletal and connective tissue disorders	2.96
Skin and subcutaneous tissue disorders	2.66
Investigations	2.37
Cardiac disorders	2.07
Hepatobiliary disorders	2.07

Cross References

Resources	Reference
ChEBI	7497
ChEMBL	CHEMBL1205
EPA CompTox	DTXSID2033736
FDA SRS	98D603VP8V
KEGG	C08091
PDB	1UN
PubChem	64142
SureChEMBL	SCHEMBL40942
ZINC	ZINC03833846

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