2-(methylthio)-6-(phenylmethyl)-1H-pyrimidin-4-one profile

ID Source	ID
PubMed CID	135402805
CHEMBL ID	109772
CHEBI ID	108368
SCHEMBL ID	6024344
SCHEMBL ID	9323212

Synonym
6-benzyl-2-(methylthio)-1h-pyrimidin-4-one
6-benzyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
bdbm2434
thio-dabo 7a
MLS000736083
6-benzyl-2-(methylsulfanyl)-4-pyrimidinol
smr000338633
4-benzyl-2-methylsulfanyl-1h-pyrimidin-6-one
6-benzyl-2-methylthio-4-oxo-pyrimidine
CHEBI:108368
CHEMBL109772
AKOS005107417
HMS2661M21
100142-46-9
MS-0442
6-benzyl-2-(methylsulfanyl)pyrimidin-4-ol
SCHEMBL6024344
SCHEMBL9323212
2-(methylthio)-6-(phenylmethyl)-1h-pyrimidin-4-one
Q27187142
4(3h)-pyrimidinone, 2-(methylthio)-6-(phenylmethyl)-
DTXSID80332816
F1967-3516
6-benzyl-2-(methylthio)pyrimidin-4(3h)-one
AKOS026714362
SR-01000309768-1
sr-01000309768
mfcd05669158
2-methylthio-4-hydroxy-6-benzylpyrimidine
6-benzyl-2-(methylsulfanyl)pyrimidin-4(3h)-one
6-benzyl-2-(methylthio)pyrimidin-4(1h)-one
SB59569

Class	Description
aryl sulfide	Any organic sulfide in which the sulfur is attached to at least one aromatic group.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (7)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
chromobox protein homolog 1	Homo sapiens (human)	Potency	100.0000	0.0060	26.1688	89.1251	AID540317
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	9.2000	0.0041	9.9848	25.9290	AID504444
DNA polymerase beta	Homo sapiens (human)	Potency	100.0000	0.0224	21.0102	89.1251	AID485314
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Gag-Pol polyprotein	HIV-1 M:B_HXB2R	IC50 (µMol)	10.0000	0.0006	0.9141	8.3200	AID1795391
Reverse transcriptase/RNaseH	Human immunodeficiency virus 1	IC50 (µMol)	10.0000	0.0001	1.0768	10.0000	AID200164
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Hsf1 protein	Mus musculus (house mouse)	EC50 (µMol)	195.0000	0.1600	24.4900	236.5000	AID2382
glutathione S-transferase, partial	Homo sapiens (human)	EC50 (µMol)	31.2500	1.5120	15.6244	46.8700	AID1769
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (2)

Process	via Protein(s)	Taxonomy
viral life cycle	Gag-Pol polyprotein	HIV-1 M:B_HXB2R
establishment of integrated proviral latency	Gag-Pol polyprotein	HIV-1 M:B_HXB2R
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Process	via Protein(s)	Taxonomy
peptidase activity	Gag-Pol polyprotein	HIV-1 M:B_HXB2R
integrase activity	Gag-Pol polyprotein	HIV-1 M:B_HXB2R
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (18)

Assay ID	Title	Year	Journal	Article
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1795391	HIV-1 RT Assay from Article 10.1021/jm00017a010: \\Synthesis and anti-HIV-1 activity of thio analogues of dihydroalkoxybenzyloxopyrimidines.\\	1995	Journal of medicinal chemistry, Aug-18, Volume: 38, Issue:17	Synthesis and anti-HIV-1 activity of thio analogues of dihydroalkoxybenzyloxopyrimidines.
AID104980	Dose required to achieve 50% protection of MT-4 cells from HIV-1 induced cytopathogenicity	1995	Journal of medicinal chemistry, Aug-18, Volume: 38, Issue:17	Synthesis and anti-HIV-1 activity of thio analogues of dihydroalkoxybenzyloxopyrimidines.
AID235503	Selectivity index calculated as the ratio between CC50 and EC50	1995	Journal of medicinal chemistry, Aug-18, Volume: 38, Issue:17	Synthesis and anti-HIV-1 activity of thio analogues of dihydroalkoxybenzyloxopyrimidines.
AID200164	Dose required to inhibit HIV-1 recombinant reverse transcriptase (rRT) activity by 50%.	1995	Journal of medicinal chemistry, Aug-18, Volume: 38, Issue:17	Synthesis and anti-HIV-1 activity of thio analogues of dihydroalkoxybenzyloxopyrimidines.
AID104757	Compound dose required to reduce the viability of mock-infected cells by 50%	1995	Journal of medicinal chemistry, Aug-18, Volume: 38, Issue:17	Synthesis and anti-HIV-1 activity of thio analogues of dihydroalkoxybenzyloxopyrimidines.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	1 (16.67)	18.2507
2000's	1 (16.67)	29.6817
2010's	3 (50.00)	24.3611
2020's	1 (16.67)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	6 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
nevirapine Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.	1.98	1	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	1.98	1	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor

Condition	Indicated	Relationship Strength	Studies	Trials
Innate Inflammatory Response [description not available]	0	2.05	1	0
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	0	2.05	1	0

2-(methylthio)-6-(phenylmethyl)-1H-pyrimidin-4-one

Cross-References

Synonyms (32)

Drug Classes (1)

Protein Targets (7)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (2)

Molecular Functions (2)

Bioassays (18)

Research

Studies (6)

Study Types

2-(methylthio)-6-(phenylmethyl)-1H-pyrimidin-4-one

Cross-References

Synonyms (32)

Drug Classes (1)

Protein Targets (7)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (2)

Molecular Functions (2)

Bioassays (18)

Research

Studies (6)

Study Types

Related Drugs (2)

Related Conditions (2)