Detailed information for compound 910388

Basic information

Technical information
  • TDR Targets ID: 910388
  • Name: 3-(4-methoxyphenyl)-2-[(1-methyl-2-oxoindol-3 -ylidene)methyl]quinazolin-4-one
  • MW: 409.437 | Formula: C25H19N3O3
  • H donors: 0 H acceptors: 2 LogP: 3.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1c(/C=C\2/c3ccccc3N(C2=O)C)nc2c(c1=O)cccc2
  • InChi: 1S/C25H19N3O3/c1-27-22-10-6-4-7-18(22)20(24(27)29)15-23-26-21-9-5-3-8-19(21)25(30)28(23)16-11-13-17(31-2)14-12-16/h3-15H,1-2H3/b20-15-
  • InChiKey: JAOQGVZUHKXIJJ-HKWRFOASSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-methoxyphenyl)-2-[(Z)-(1-methyl-2-oxoindol-3-ylidene)methyl]quinazolin-4-one
  • 3-(4-methoxyphenyl)-2-[(Z)-(1-methyl-2-oxo-indolin-3-ylidene)methyl]quinazolin-4-one
  • 3-(4-methoxyphenyl)-2-[(1-methyl-2-oxo-indolin-3-ylidene)methyl]quinazolin-4-one
  • 3-(4-methoxyphenyl)-2-[(Z)-(1-methyl-2-oxo-3-indolinylidene)methyl]-4-quinazolinone
  • 3-(4-methoxyphenyl)-2-[(1-methyl-2-oxo-3-indolinylidene)methyl]-4-quinazolinone
  • 2-[(Z)-(2-keto-1-methyl-indolin-3-ylidene)methyl]-3-(4-methoxyphenyl)quinazolin-4-one
  • 2-[(2-keto-1-methyl-indolin-3-ylidene)methyl]-3-(4-methoxyphenyl)quinazolin-4-one
  • 3-(4-methoxyphenyl)-2-[(Z)-(1-methyl-2-oxo-indol-3-ylidene)methyl]quinazolin-4-one
  • 3-(4-methoxyphenyl)-2-[(1-methyl-2-oxo-indol-3-ylidene)methyl]quinazolin-4-one
  • 5806-41-7
  • 3-(4-Methoxy-phenyl)-2-[1-methyl-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-3H-quinazolin-4-one
  • BIM-0017228.P001
  • AJ-292/11336291
  • SMR000429657
  • ZINC04419843
  • STK285706
  • MLS000767326
  • CBMicro_017182

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) cytochrome P450 family protein 0.0117 0.0431 0.0431
Echinococcus multilocularis L lactate dehydrogenase B chain 0.1114 1 1
Plasmodium falciparum L-lactate dehydrogenase 0.1114 1 1
Trypanosoma brucei cytochrome P450, putative 0.0117 0.0431 0.0989
Leishmania major cytosolic malate dehydrogenase 0.0527 0.4359 0.4359
Loa Loa (eye worm) acetyltransferase 0.0175 0.0984 0.0984
Echinococcus granulosus lactate dehydrogenase a 0.1114 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.0937 0.0937
Toxoplasma gondii lactate dehydrogenase LDH1 0.1114 1 1
Leishmania major malate dehydrogenase, putative 0.1114 1 1
Mycobacterium ulcerans malate dehydrogenase 0.0527 0.4359 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0527 0.4359 0.4359
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0984 0.0984
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.0984 0.0984
Leishmania major mitochondrial malate dehydrogenase 0.0513 0.4229 0.4229
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0527 0.4359 0.4359
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0527 0.4359 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Echinococcus granulosus L lactate dehydrogenase B chain 0.1114 1 1
Leishmania major cytochrome p450-like protein 0.0117 0.0431 0.0431
Loa Loa (eye worm) cytochrome P450 family protein 0.0117 0.0431 0.0431
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Echinococcus multilocularis lactate dehydrogenase protein 0.1114 1 1
Echinococcus multilocularis geminin 0.0205 0.1268 0.1268
Trichomonas vaginalis malate dehydrogenase, putative 0.0477 0.3884 0.8316
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Plasmodium vivax malate dehydrogenase, putative 0.1114 1 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0527 0.4359 1
Toxoplasma gondii malate dehydrogenase MDH 0.1114 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0527 0.4359 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.7304 0.7304
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Schistosoma mansoni malate dehydrogenase 0.0527 0.4359 0.4359
Loa Loa (eye worm) cytochrome P450 family protein 0.017 0.0939 0.0939
Echinococcus multilocularis L lactate dehydrogenase 0.0637 0.542 0.542
Echinococcus granulosus malate dehydrogenase 0.0513 0.4229 0.4229
Echinococcus multilocularis malate dehydrogenase 0.0513 0.4229 0.4229
Schistosoma mansoni L-lactate dehydrogenase 0.1114 1 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.0984 0.0984
Echinococcus granulosus lactate dehydrogenase a 0.1114 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0527 0.4359 1
Plasmodium falciparum malate dehydrogenase 0.1114 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.1268 0.1268
Echinococcus granulosus L lactate dehydrogenase 0.0637 0.542 0.542
Echinococcus multilocularis lactate dehydrogenase a 0.1114 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0117 0.0431 0.0989
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0513 0.4229 0.9702
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.1114 1 0.5
Entamoeba histolytica malate dehydrogenase, putative 0.1114 1 1
Schistosoma mansoni L-lactate dehydrogenase 0.0477 0.3884 0.3884
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0513 0.4229 0.4229
Trypanosoma brucei glycosomal malate dehydrogenase 0.0513 0.4229 0.9702
Echinococcus granulosus lactate dehydrogenase protein 0.1114 1 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0527 0.4359 0.4359
Leishmania major malate dehydrogenase, putative 0.0477 0.3884 0.3884
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0513 0.4229 0.9702
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Schistosoma mansoni malate dehydrogenase 0.0513 0.4229 0.4229
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.7304 0.7304
Trypanosoma cruzi malate dehydrogenase, putative 0.0477 0.3884 0.8909
Trypanosoma cruzi cytochrome P450, putative 0.0117 0.0431 0.0989
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0527 0.4359 1
Plasmodium vivax lactate dehydrogenase 0.1114 1 1
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0513 0.4229 0.9702
Brugia malayi Cytochrome P450 family protein 0.0117 0.0431 0.0431
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0527 0.4359 0.4359
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0513 0.4229 0.9702
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Leishmania major glycosomal malate dehydrogenase 0.0513 0.4229 0.4229
Toxoplasma gondii lactate dehydrogenase LDH2 0.1114 1 1
Trypanosoma brucei cytosolic malate dehydrogenase 0.0527 0.4359 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0513 0.4229 0.9702
Echinococcus granulosus malate dehydrogenase 0.0513 0.4229 0.4229
Echinococcus multilocularis lactate dehydrogenase a 0.1114 1 1
Chlamydia trachomatis malate dehydrogenase 0.0527 0.4359 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Echinococcus granulosus geminin 0.0205 0.1268 0.1268
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0527 0.4359 1
Loa Loa (eye worm) hypothetical protein 0.1114 1 1
Brugia malayi Cytochrome P450 family protein 0.017 0.0939 0.0939
Leishmania major malate dehydrogenase 0.0513 0.4229 0.4229
Trichomonas vaginalis malate dehydrogenase, putative 0.0282 0.2011 0.1684
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0527 0.4359 1
Loa Loa (eye worm) CYP4Cod1 0.0117 0.0431 0.0431
Schistosoma mansoni malate dehydrogenase 0.0527 0.4359 0.4359
Schistosoma mansoni hypothetical protein 0.0205 0.1268 0.1268
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.7304 0.7304
Schistosoma mansoni malate dehydrogenase 0.1114 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0117 0.0431 0.0989
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0527 0.4359 0.4359
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Loa Loa (eye worm) malate dehydrogenase 0.0513 0.4229 0.4229
Loa Loa (eye worm) malate dehydrogenase 0.0527 0.4359 0.4359
Echinococcus multilocularis malate dehydrogenase 0.0513 0.4229 0.4229
Giardia lamblia Malate dehydrogenase 0.0527 0.4359 0.5
Trypanosoma brucei malate dehydrogenase-related 0.0477 0.3884 0.8909
Echinococcus multilocularis lactate dehydrogenase a 0.1114 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0527 0.4359 1
Brugia malayi Cytochrome P450 family protein 0.0117 0.0431 0.0431

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 2.8184 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.3225 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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