4-phenylpyrimidine profile

4-phenylpyrimidine : A biaryl that is pyrimidine substituted at position 4 by a phenyl group. [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]

ID Source	ID
PubMed CID	18923
CHEMBL ID	1235765
CHEBI ID	90622
SCHEMBL ID	2131373

Synonym
einecs 222-345-8
brn 0112781
6-phenylpyrimidine
nsc 84249
chebi:90622 ,
CHEMBL1235765
4-phenyl-pyrimidine
AC-907/25014265
RW1 ,
4-phenylpyrimidine
nsc84249
pyrimidine, 4-phenyl-
nsc-84249
3438-48-0
mls002694538 ,
4-phenylpyrimidine, 96%
smr001560464
inchi=1/c10h8n2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8h
mklqpiylzmlaer-uhfffaoysa-
HMS3094K17
SCHEMBL2131373
AKOS015917050
5-23-08-00009 (beilstein handbook reference)
vqr91iru2r ,
unii-vqr91iru2r
FT-0634855
3B9S
mfcd00006111
DTXSID90187950
J-019578
DS-6698
Q27162633
AMY11943
CS-0060519
SB57256
EN300-130842
SY075068

Class	Description
pyrimidines	Any compound having a pyrimidine as part of its structure.
biaryl	An organic aromatic compound whose structure contains two aromatic rings or ring systems, joined to each other by a single bond.
[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 (4)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
chromobox protein homolog 1	Homo sapiens (human)	Potency	89.1251	0.0060	26.1688	89.1251	AID540317
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	50.1187	0.0501	27.0736	89.1251	AID588590
[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)
Chain A, Macrophage Migration Inhibitory Factor	Homo sapiens (human)	IC50 (µMol)	5.0000	5.0000	5.0000	5.0000	AID977608
Chain B, Macrophage Migration Inhibitory Factor	Homo sapiens (human)	IC50 (µMol)	5.0000	5.0000	5.0000	5.0000	AID977608
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (14)

Assay ID	Title	Year	Journal	Article
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1775064	Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated for 20 mins by HPLC analysis	2021	Journal of medicinal chemistry, 02-25, Volume: 64, Issue:4	Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors.
AID687183	Inhibition of human recombinant N-terminal His-tagged IDO1 (Ala2 to Gly403) overexpressed in Escherichia coli BL21 at 1 mM at pH 6.5 after 60 mins by HPLC analysis	2012	Journal of medicinal chemistry, Jun-14, Volume: 55, Issue:11	Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.
AID977608	Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	2008	Cancer research, Sep-15, Volume: 68, Issue:18	A novel, macrophage migration inhibitory factor suicide substrate inhibits motility and growth of lung cancer cells.
[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	0 (0.00)	18.2507
2000's	2 (28.57)	29.6817
2010's	3 (42.86)	24.3611
2020's	2 (28.57)	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	7 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
imidazole imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.	2.07	1	imidazole
phenol [no description available]	2.07	1	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.	2.07	1	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
benzotriazole benzotriazole: inhibitor of atmospheric metal corrosion; also component of motion picture film & Neva brake fluid. benzotriazole : The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.	2.54	2	benzotriazoles	environmental contaminant; xenobiotic
5-tolyltriazole 5-tolyltriazole: a corrosion inhibitor and water pollutant	2.07	1	benzotriazoles	environmental contaminant; xenobiotic
indazoles Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.	2.31	1	indazole
1,2,4-triazole 1,2,4-triazole: RN given refers to 1H-1,2,4-triazole	2.07	1	1,2,4-triazole
4,4'-bipyridyl 4,4'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'.	2.07	1	bipyridine
4-phenylpyridine [no description available]	2.54	2	phenylpyridine
3-phenylpyridine [no description available]	2.31	1
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	2.07	1	1,2,3-triazole
1h-tetrazole tetrazole : An azaarene that is a five-membered ring composed of 4 nitrogen and 1 carbon atom.. 2H-tetrazole : A tetrazole tautomer where the proton is located on the 2 position.	2.07	1	one-carbon compound; tetrazole
4(5)-phenylimidazole 4(5)-phenylimidazole: tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist	2.54	2
1-phenylimidazole 1-phenylimidazole: ligand for cytochrome P-450 & inhibitor of microsomal oxidation	2.31	1

Condition	Relationship Strength	Studies
Adenocarcinoma, Basal Cell [description not available]	2.04	1
Cancer of Lung [description not available]	2.04	1
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	2.04	1
Lung Neoplasms Tumors or cancer of the LUNG.	2.04	1
Innate Inflammatory Response [description not available]	2.05	1
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.	2.05	1

4-phenylpyrimidine

Description

Cross-References

Synonyms (37)

Drug Classes (2)

Protein Targets (4)

Potency Measurements

Inhibition Measurements

Bioassays (14)

Research

Studies (7)

Market Indicators

Research Demand Index: 12.57

Study Types

4-phenylpyrimidine

Description

Cross-References

Synonyms (37)

Drug Classes (2)

Protein Targets (4)

Potency Measurements

Inhibition Measurements

Bioassays (14)

Research

Studies (7)

Market Indicators

Research Demand Index: 12.57

Study Types

Related Drugs (14)

Related Conditions (6)