Compounds > a 74704
Page last updated: 2024-12-06

a 74704

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

A 74704: structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID72289
CHEMBL ID307193
SCHEMBL ID6132144
MeSH IDM0179601

Synonyms (22)

Synonym
benzyl n-[(1s)-1-{[(2s,4s)-4-[(2s)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido]-3-hydroxy-1,5-diphenylpentan-2-yl]carbamoyl}-2-methylpropyl]carbamate
chembl307193 ,
bdbm196
bdbm50041039
a74704
l-arabinitol, 1,2,4,5-tetradeoxy-2,4-bis[[(2s)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-1,5-diphenyl-
a 74704
benzyl n-[(1s)-1-[[(1s,3s)-1-benzyl-3-[[(2s)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]carbamoyl]-2-methyl-propyl]carbamate
a-74704 peptide
129467-45-4
0e9 ,
benzyl [(1r,4s,6s,9r)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate
9HVP ,
benzyl n-[(2s)-1-[[(2s,4s)-3-hydroxy-4-[[(2s)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
(2(s),4(s))-1,2,4,5-tetradeoxy-2,4-bis((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-1,5-diphenyl-l-arabinitol
l-arabinitol, 1,2,4,5-tetradeoxy-2,4-bis((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-1,5-diphenyl-, (2(s),4(s))-
SCHEMBL6132144
DTXSID40156171
benzyl [(1r,4s,6s,9r)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate (non-preferred name)
phenylmethyln-[(2s)-1-[[(2s,4s)-3-hydroxy-4-[[(2s)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,5-di(phenyl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Q27451039
AKOS040747669

Research Excerpts

Pharmacokinetics

ExcerptReferenceRelevance
" Additional pharmacokinetic studies in dogs and monkeys revealed the potential utility of A-77003 as an intravenous anti-HIV agent."( Antiviral and pharmacokinetic properties of C2 symmetric inhibitors of the human immunodeficiency virus type 1 protease.
Bryant, P; Codacovi, L; Kempf, DJ; Knigge, MF; Kohlbrenner, WE; Marsh, KC; Norbeck, DW; Paul, DA; Vasavanonda, S; Wang, XC, 1991)		0.28

Bioavailability

ExcerptReferenceRelevance
" After administration of the inhibitors to rats, short half-lives and, with two notable exceptions, moderate oral bioavailability were observed."( Antiviral and pharmacokinetic properties of C2 symmetric inhibitors of the human immunodeficiency virus type 1 protease.
Bryant, P; Codacovi, L; Kempf, DJ; Knigge, MF; Kohlbrenner, WE; Marsh, KC; Norbeck, DW; Paul, DA; Vasavanonda, S; Wang, XC, 1991)		0.28
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (4)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, HIV-1 PROTEASEHuman immunodeficiency virus 1Ki0.00450.00450.00450.0045AID977610
Chain B, HIV-1 PROTEASEHuman immunodeficiency virus 1Ki0.00450.00450.00450.0045AID977610
Gag-Pol polyproteinHuman immunodeficiency virus type 1 (NEW YORK-5 ISOLATE)Ki0.00450.00000.12203.1000AID1795216
Protease Human immunodeficiency virus 1IC50 (µMol)0.00300.00010.22487.3200AID162040; AID162366; AID162513
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (6)

Assay IDTitleYearJournalArticle
AID162513The compound was tested for its affinity against HIV-1 protease1991Journal of medicinal chemistry, Aug, Volume: 34, Issue:8
HIV protease: a novel chemotherapeutic target for AIDS.
AID162040Inhibition of HIV-1 protease1994Journal of medicinal chemistry, Apr-15, Volume: 37, Issue:8
Application of the three-dimensional structures of protein target molecules in structure-based drug design.
AID162366Inhibitory activity was evaluated against HIV-protease was evaluated1998Bioorganic & medicinal chemistry letters, Jul-21, Volume: 8, Issue:14
Synthesis and anti-HIV activities of symmetrical N1,N3-dibenzyl-2-hydroxy-propane derivatives.
AID977610Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB1990Science (New York, N.Y.), Aug-03, Volume: 249, Issue:4968
Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease.
AID1811Experimentally measured binding affinity data derived from PDB1990Science (New York, N.Y.), Aug-03, Volume: 249, Issue:4968
Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease.
AID1795216Protease Inhibition Assay from Article 10.1126/science.2200122: \\Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease.\\1990Science (New York, N.Y.), Aug-03, Volume: 249, Issue:4968
Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (15)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's15 (100.00)18.2507
2000's0 (0.00)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 11.62

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index11.62 (24.57)
Research Supply Index2.83 (2.92)
Research Growth Index4.45 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (11.62)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews4 (25.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other12 (75.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
carbamates
[no description available]		1.9910amino-acid anion
haloperidol
Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.		3.0710aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.		1.9810aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
valine
Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.		5.46120L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
sezolamide
sezolamide: decreases intraocular pressure, topically in vivo; inhibits carbonic anhydrase; RN given refers to parent cpd without isomeric designation		3.0810
abbott 77003
Abbott 77003: a symmetry-based inhibitor of HIV-1 protease		3.4920
kni 102
KNI 102: structure given in first source		3.0810peptide
amprenavir
[no description available]		1.9910carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
a 75925
A 75925: has HIV antiviral & HIV type 1 protease inhibitory activity		3.4820
a 76889
A 76889: backbone structure gvien in first source		3.4920
methotrexate
[no description available]		2.3920dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
jg 365
[no description available]		3.7830
a 76928
A 76928: a diol with C2-symmetry		3.0810
cerulenin
Cerulenin: An epoxydodecadienamide isolated from several species, including ACREMONIUM, Acrocylindrum, and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.. cerulenin : An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.		3.9920epoxide;
monocarboxylic acid amide		antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor
dorzolamide
dorzolamide: topically effective ocular hypotensive carbonic anhydrase inhibitor; RN refers to mono-HCl (4S-trans)-isomer. dorzolamide : 5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension.		3.0810sulfonamide;
thiophenes		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
l 685434
L 685434: structure given in first source; a pseudopeptide with activity against HIV protease		3.0710
pepstatin
pepstatin: inhibits the aspartic protease endothiapepsin		3.9920pentapeptide;
secondary carboxamide		bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
u 75875
U 75875: structure given in first source		3.4920
streptomyces pepsin inhibitor
[no description available]		3.0710
mvt 101
MVT 101: peptide inhibitor		1.9910
ConditionIndicatedRelationship StrengthStudiesTrials
Acquired Immune Deficiency Syndrome
[description not available]		02.8910
Acquired Immunodeficiency Syndrome
An acquired defect of cellular immunity associated with infection by the human immunodeficiency virus (HIV), a CD4-positive T-lymphocyte count under 200 cells/microliter or less than 14% of total lymphocytes, and increased susceptibility to opportunistic infections and malignant neoplasms. Clinical manifestations also include emaciation (wasting) and dementia. These elements reflect criteria for AIDS as defined by the CDC in 1993.		02.8910