Detailed information for compound 1259469

Basic information

Technical information
  • TDR Targets ID: 1259469
  • Name: 2-[(4-ethylphenyl)amino]-7-(4-methoxyphenyl)- 7,8-dihydro-6H-quinazolin-5-one
  • MW: 373.448 | Formula: C23H23N3O2
  • H donors: 1 H acceptors: 3 LogP: 4.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)Nc1ncc2c(n1)CC(CC2=O)c1ccc(cc1)OC
  • InChi: 1S/C23H23N3O2/c1-3-15-4-8-18(9-5-15)25-23-24-14-20-21(26-23)12-17(13-22(20)27)16-6-10-19(28-2)11-7-16/h4-11,14,17H,3,12-13H2,1-2H3,(H,24,25,26)
  • InChiKey: VOEOQPPFSVGMBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SMR000148979
  • STK211245
  • 2-(4-Ethyl-phenylamino)-7-(4-methoxy-phenyl)-7,8-dihydro-6H-quinazolin-5-one
  • MLS000558463

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus geminin 0.0352 0.9028 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0155 0.3673 1
Schistosoma mansoni Smad4 0.0026 0.02 0.0221
Loa Loa (eye worm) hypothetical protein 0.0049 0.0821 0.0821
Echinococcus multilocularis geminin 0.0352 0.9028 1
Schistosoma mansoni smad1 5 8 and 0.0026 0.02 0.0221
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0821 0.091
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0079 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0155 0.3673 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0979 0.1085
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0156 0.3712 0.3712
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0079 0.0079
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0022 0.0079 0.0215
Schistosoma mansoni hypothetical protein 0.0049 0.0821 0.091
Plasmodium falciparum ornithine aminotransferase 0.0022 0.0079 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0821 0.0821
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0979 0.1085
Schistosoma mansoni hypothetical protein 0.0049 0.0821 0.091
Echinococcus granulosus GPCR family 2 0.0049 0.0821 0.091
Brugia malayi MH2 domain containing protein 0.0026 0.02 0.02
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0022 0.0079 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.02 0.02
Mycobacterium tuberculosis Probable aminotransferase 0.0155 0.3673 1
Schistosoma mansoni hypothetical protein 0.0352 0.9028 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0979 0.1085
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.02 0.0221
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0156 0.3712 0.3712
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0079 0.0087
Schistosoma mansoni hypothetical protein 0.0352 0.9028 1
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0022 0.0079 0.0215
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0079 0.0087
Schistosoma mansoni smad1 5 8 and 0.0026 0.02 0.0221
Brugia malayi Smad1 0.0026 0.02 0.02
Schistosoma mansoni hypothetical protein 0.0049 0.0821 0.091
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0022 0.0079 0.0215
Loa Loa (eye worm) transcription factor SMAD2 0.0388 1 1
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0022 0.0079 0.0215
Schistosoma mansoni smad 0.0026 0.02 0.0221
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0821 0.091
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.02 0.0221
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.2374 0.2374
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0979 0.1085
Echinococcus granulosus Smad4 0.0026 0.02 0.0221
Schistosoma mansoni hypothetical protein 0.0107 0.2374 0.263
Loa Loa (eye worm) Smad1 0.0026 0.02 0.02
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0821 0.091
Echinococcus granulosus Aminotransferase class III 0.0022 0.0079 0.0087
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0979 0.1085
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0079 0.0087
Echinococcus multilocularis GPCR, family 2 0.0049 0.0821 0.091
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0979 0.1085
Loa Loa (eye worm) hypothetical protein 0.0107 0.2374 0.2374
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0821 0.091
Brugia malayi MH2 domain containing protein 0.0026 0.02 0.02
Schistosoma mansoni smad1 5 8 and 0.0026 0.02 0.0221
Brugia malayi MH1 domain containing protein 0.0026 0.02 0.02
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.02 0.02
Echinococcus multilocularis Smad4 0.0026 0.02 0.0221
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0388 1 1
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0079 0.0087
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0079 0.0087
Mycobacterium ulcerans hypothetical protein 0.0155 0.3673 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0821 0.0821
Echinococcus granulosus smad 0.0026 0.02 0.0221
Brugia malayi Calcitonin receptor-like protein seb-1 0.0156 0.3712 0.3712
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.02 0.0221
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0079 0.5
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0821 0.0821
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0979 0.0979
Loa Loa (eye worm) hypothetical protein 0.0156 0.3712 0.3712
Brugia malayi MH1 domain containing protein 0.0026 0.02 0.02
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.02 0.0221
Schistosoma mansoni hypothetical protein 0.0049 0.0821 0.091
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0979 0.1085
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0155 0.3673 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.02 0.0221
Echinococcus multilocularis smad 0.0026 0.02 0.0221
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0155 0.3673 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0979 0.0979
Plasmodium vivax ornithine aminotransferase, putative 0.0022 0.0079 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5171 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) 1.122 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 20.5962 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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