Detailed information for compound 1407100

Basic information

Technical information
  • TDR Targets ID: 1407100
  • Name: STK164635
  • MW: 350.414 | Formula: C20H22N4O2
  • H donors: 1 H acceptors: 3 LogP: 2.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1CCN(CC1)Cc1nc(O)c2c(n1)cccc2
  • InChi: 1S/C20H22N4O2/c1-26-16-8-6-15(7-9-16)24-12-10-23(11-13-24)14-19-21-18-5-3-2-4-17(18)20(25)22-19/h2-9H,10-14H2,1H3,(H,21,22,25)
  • InChiKey: OCZWICVUAMVRJG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • EU-0015702
  • 2-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-4-quinazolinol
  • MLS000088876
  • SMR000073053
  • T5488227
  • STK284721

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.1795 0.1795
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.027 0.8094 0.8094
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0156 0.4528 0.4528
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.1795 0.1795
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.033 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.075 0.1657
Brugia malayi Pre-SET motif family protein 0.0036 0.075 0.075
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0708 0.1564
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7522 0.7522
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.027 0.8094 0.8029
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.033 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1649 0.1649
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0156 0.4528 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.027 0.8094 0.8029
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0156 0.4528 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0156 0.4528 0.4528
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1795 0.3965
Entamoeba histolytica protein tyrosine phosphatase, putative 0.027 0.8094 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0156 0.4528 0.4341
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.075 0.1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.027 0.8094 0.8094
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.075 0.075
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.075 0.1657
Onchocerca volvulus 0.0286 0.8614 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.075 0.075
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.027 0.8094 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0156 0.4528 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.027 0.8094 0.8029
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.075 0.1657
Plasmodium vivax SET domain protein, putative 0.0036 0.075 0.1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0156 0.4528 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8614 0.8567
Entamoeba histolytica protein tyrosine phosphatase, putative 0.027 0.8094 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.8414 0.8414
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0156 0.4528 0.4528
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.1795 0.349
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1795 0.3965
Schistosoma mansoni ap endonuclease 0.0023 0.033 0.033
Brugia malayi Pre-SET motif family protein 0.0251 0.7522 0.7522
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0156 0.4528 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.1795 0.1887
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0156 0.4528 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0036 0.075 0.075
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.027 0.8094 0.8029
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.027 0.8094 0.8029
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.027 0.8094 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0156 0.4528 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1795 0.1515
Onchocerca volvulus 0.0036 0.075 0.0871
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.033 0.073
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.033 0.073
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1795 0.1515
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0156 0.4528 0.5406
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0156 0.4528 0.4341
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0156 0.4528 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.075 0.075
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.033 0.033
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.033 0.033
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.027 0.8094 0.8029
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0156 0.4528 0.4528
Schistosoma mansoni ap endonuclease 0.0023 0.033 0.033
Brugia malayi follicle stimulating hormone receptor 0.028 0.8414 0.8414
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0156 0.4528 0.4528
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0156 0.4528 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.027 0.8094 0.8029
Onchocerca volvulus 0.027 0.8094 0.9396

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0316 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.2239 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.3274 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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