Page last updated: 2024-11-13

unc 0631

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Description

N-(1-(cyclohexylmethyl)piperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine: inhibits protein lysine methyltransferase G9a; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID53315868
CHEMBL ID1829305
SCHEMBL ID17909967
MeSH IDM0562279

Synonyms (27)

Synonym
NCGC00189130-01
CHEMBL1829305 ,
bdbm50353132
HY-13808
1320288-19-4
n-(1-(cyclohexylmethyl)piperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine
unc 0631
unc-0631
unc0631
7-(3-(piperidin-1-yl)propoxy)-n-(1-(cyclohexylmethyl)piperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxyquinazolin-4-amine
AKOS026750443
SCHEMBL17909967
n-[1-(cyclohexylmethyl)piperidin-4-yl]-6-methoxy-7-[3-(piperidin-1-yl)propoxy]-2-[4-(propan-2-yl)-1,4-diazepan-1-yl]quinazolin-4-amine
J-006106
NCGC00189130-09
n-[1-(cyclohexylmethyl)-4-piperidinyl]-2-[hexahydro-4-(1-methylethyl)-1h-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinamine
EX-A2174
BCP08635
SB19345
n-[1-(cyclohexylmethyl)piperidin-4-yl]-6-methoxy-7-(3-piperidin-1-ylpropoxy)-2-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-4-amine
HMS3748A09
A888343
NCGC00189130-05
VCC28819
AS-78034
AC-35967
E98982

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019
)
0.51
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (5)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
PPM1D proteinHomo sapiens (human)Potency10.43530.00529.466132.9993AID1347411
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency29.61280.01237.983543.2770AID1645841
cytochrome P450 2D6Homo sapiens (human)Potency11.98770.00108.379861.1304AID1645840
Interferon betaHomo sapiens (human)Potency10.43530.00339.158239.8107AID1347411
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Histone-lysine N-methyltransferase EHMT2Homo sapiens (human)IC50 (µMol)0.03320.00251.14809.2000AID618483; AID618490; AID618493; AID618496; AID618499; AID618502; AID618505; AID618508
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (51)

Processvia Protein(s)Taxonomy
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell activation involved in immune responseInterferon betaHomo sapiens (human)
cell surface receptor signaling pathwayInterferon betaHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to virusInterferon betaHomo sapiens (human)
positive regulation of autophagyInterferon betaHomo sapiens (human)
cytokine-mediated signaling pathwayInterferon betaHomo sapiens (human)
natural killer cell activationInterferon betaHomo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT proteinInterferon betaHomo sapiens (human)
cellular response to interferon-betaInterferon betaHomo sapiens (human)
B cell proliferationInterferon betaHomo sapiens (human)
negative regulation of viral genome replicationInterferon betaHomo sapiens (human)
innate immune responseInterferon betaHomo sapiens (human)
positive regulation of innate immune responseInterferon betaHomo sapiens (human)
regulation of MHC class I biosynthetic processInterferon betaHomo sapiens (human)
negative regulation of T cell differentiationInterferon betaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIInterferon betaHomo sapiens (human)
defense response to virusInterferon betaHomo sapiens (human)
type I interferon-mediated signaling pathwayInterferon betaHomo sapiens (human)
neuron cellular homeostasisInterferon betaHomo sapiens (human)
cellular response to exogenous dsRNAInterferon betaHomo sapiens (human)
cellular response to virusInterferon betaHomo sapiens (human)
negative regulation of Lewy body formationInterferon betaHomo sapiens (human)
negative regulation of T-helper 2 cell cytokine productionInterferon betaHomo sapiens (human)
positive regulation of apoptotic signaling pathwayInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell differentiationInterferon betaHomo sapiens (human)
natural killer cell activation involved in immune responseInterferon betaHomo sapiens (human)
adaptive immune responseInterferon betaHomo sapiens (human)
T cell activation involved in immune responseInterferon betaHomo sapiens (human)
humoral immune responseInterferon betaHomo sapiens (human)
negative regulation of transcription by RNA polymerase IIHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
cellular response to starvationHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
regulation of DNA replicationHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
DNA methylation-dependent heterochromatin formationHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
synaptonemal complex assemblyHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
spermatid developmentHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
long-term memoryHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
fertilizationHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
peptidyl-lysine dimethylationHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
regulation of protein modification processHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
organ growthHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
phenotypic switchingHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
negative regulation of gene expression via chromosomal CpG island methylationHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
response to ethanolHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
behavioral response to cocaineHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
oocyte developmentHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
neuron fate specificationHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
response to fungicideHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
cellular response to cocaineHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
cellular response to xenobiotic stimulusHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
negative regulation of autophagosome assemblyHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
negative regulation of transcription by RNA polymerase IIHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (17)

Processvia Protein(s)Taxonomy
cytokine activityInterferon betaHomo sapiens (human)
cytokine receptor bindingInterferon betaHomo sapiens (human)
type I interferon receptor bindingInterferon betaHomo sapiens (human)
protein bindingInterferon betaHomo sapiens (human)
chloramphenicol O-acetyltransferase activityInterferon betaHomo sapiens (human)
RNA polymerase II transcription regulatory region sequence-specific DNA bindingHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
transcription corepressor bindingHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
p53 bindingHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
protein bindingHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
zinc ion bindingHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
protein-lysine N-methyltransferase activityHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
enzyme bindingHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
histone H3K9 methyltransferase activityHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
histone H3K27 methyltransferase activityHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
C2H2 zinc finger domain bindingHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
histone H3K56 methyltransferase activityHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
histone H3K9me2 methyltransferase activityHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
promoter-specific chromatin bindingHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (6)

Processvia Protein(s)Taxonomy
extracellular spaceInterferon betaHomo sapiens (human)
extracellular regionInterferon betaHomo sapiens (human)
nucleusHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
nucleoplasmHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
nuclear speckHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
chromatinHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
nucleusHistone-lysine N-methyltransferase EHMT2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (29)

Assay IDTitleYearJournalArticle
AID618503Cytotoxicity against human HCT116 cells assessed as cell viability after 48 hrs by MTT assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618493Inhibition of G9a in human MCF7 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618501Ratio of EC50 for human 22Rv1 cells to IC50 for G9a in human 22Rv1 cells2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618497Cytotoxicity against human PC3 cells assessed as cell viability after 48 hrs by MTT assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618506Cytotoxicity against p53-deficient human HCT116 cells assessed as cell viability after 48 hrs by MTT assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618563Cytotoxicity against human IMR90 cells assessed as cell viability after 48 hrs by MTT assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618504Ratio of EC50 for human HCT116 cells to IC50 for G9a in human HCT116 cells2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618491Cytotoxicity against human MDA-MB-231 cells assessed as cell viability after 48 hrs by MTT assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618508Inhibition of G9a in human IMR90 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618502Inhibition of G9a in human HCT116 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618500Cytotoxicity against human 22Rv1 cells assessed as cell viability after 48 hrs by MTT assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618499Inhibition of G9a in human 22Rv1 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618483Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618490Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618498Ratio of EC50 for human PC3 cells to IC50 for G9a in human PC3 cells2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618507Ratio of EC50 for p53-deficient human HCT116 cells to IC50 for G9a in p53-deficient human HCT116 cells2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618494Cytotoxicity against human MCF cells assessed as cell viability after 48 hrs by MTT assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618495Ratio of EC50 for human MCF cells to IC50 for G9a in human MCF cells2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618496Inhibition of G9a in human PC3 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618505Inhibition of G9a in p53-deficient human HCT116 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618492Ratio of EC50 for human MDA-MB-231 cells to IC50 for G9a in human MDA-MB-231 cells2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID618564Ratio of EC50 for human IMR90 cells to IC50 for G9a in human IMR90 cells2011Journal of medicinal chemistry, Sep-08, Volume: 54, Issue:17
Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.
AID1347412qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's2 (33.33)24.3611
2020's4 (66.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.63

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 Index12.63 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.57 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.63)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]