Detailed information for compound 1371544

Basic information

Technical information
  • TDR Targets ID: 1371544
  • Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazol in-4-ylsulfanylacetamide
  • MW: 444.527 | Formula: C20H20N4O4S2
  • H donors: 1 H acceptors: 5 LogP: 2.06 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)CSc1ncnc2c1cccc2
  • InChi: 1S/C20H20N4O4S2/c25-19(13-29-20-17-6-1-2-7-18(17)21-14-22-20)23-15-4-3-5-16(12-15)30(26,27)24-8-10-28-11-9-24/h1-7,12,14H,8-11,13H2,(H,23,25)
  • InChiKey: LUSKRKQRUDKTJV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-morpholinosulfonylphenyl)-2-quinazolin-4-ylsulfanyl-acetamide
  • N-(3-morpholinosulfonylphenyl)-2-(4-quinazolinylthio)acetamide
  • N-(3-morpholinosulfonylphenyl)-2-(quinazolin-4-ylthio)acetamide
  • N-(3-morpholin-4-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanyl-ethanamide
  • MLS000775831
  • SMR000370945
  • T0511-9920

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens prion protein 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) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis 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 ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica exodeoxyribonuclease III, 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III 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 granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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 aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum conserved hypothetical protein 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni lamin 0.0033 0.4058 0.3967
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.1602 0.1474
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0006 0.015 0.037
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Loa Loa (eye worm) hypothetical protein 0.0016 0.1602 0.3947
Entamoeba histolytica hypothetical protein 0.0043 0.5644 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.2621 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.5644 1
Echinococcus multilocularis lamin 0.0033 0.4058 0.3967
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.4058 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.4058 0.719
Echinococcus multilocularis musashi 0.0033 0.4058 0.3967
Loa Loa (eye worm) hypothetical protein 0.0033 0.4058 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Brugia malayi enteropeptidase precursor 0.0006 0.015 0.0266
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.015 0.0266
Schistosoma mansoni aldehyde dehydrogenase 0.0073 1 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2621 1
Schistosoma mansoni ap endonuclease 0.0023 0.2621 0.2509
Echinococcus granulosus lamin dm0 0.0033 0.4058 0.3967
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Loa Loa (eye worm) intermediate filament protein 0.0033 0.4058 1
Echinococcus granulosus lamin 0.0033 0.4058 0.3967
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.015 0.0266
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 1 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.1602 0.1474
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0006 0.015 0.037
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5644 0.5578
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.2621 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.2621 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Loa Loa (eye worm) hypothetical protein 0.0015 0.1515 0.3733
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.2621 0.2509
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.2621 0.5
Schistosoma mansoni lamin 0.0033 0.4058 0.3967
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2621 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.2621 0.2509
Toxoplasma gondii aldehyde dehydrogenase 0.0073 1 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.015 0.0266
Echinococcus multilocularis lamin dm0 0.0033 0.4058 0.3967
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1854 0.4568
Brugia malayi Low-density lipoprotein receptor-related protein, putative 0.0006 0.015 0.0266
Onchocerca volvulus 0.0033 0.4058 1
Schistosoma mansoni hypothetical protein 0.0043 0.5644 0.5578
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.2621 0.4644
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1854 0.3284
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0006 0.015 0.0266
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2621 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Loa Loa (eye worm) hypothetical protein 0.0032 0.3971 0.9786
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5644 0.5578
Onchocerca volvulus 0.0033 0.4058 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5644 0.5578
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0006 0.015 0.037
Loa Loa (eye worm) calcium binding EGF domain-containing protein 0.0006 0.015 0.037
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.015 0.0266
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.2621 0.646
Loa Loa (eye worm) low-density lipoprotein receptor domain class A containing protein 0.0006 0.015 0.037
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.015 0.0266
Brugia malayi intermediate filament protein 0.0033 0.4058 0.719
Brugia malayi basement membrane proteoglycan precursor 0.0006 0.015 0.0266
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Echinococcus granulosus intermediate filament protein 0.0033 0.4058 0.3967
Schistosoma mansoni intermediate filament proteins 0.0033 0.4058 0.3967
Brugia malayi CUB domain containing protein 0.0006 0.015 0.0266
Entamoeba histolytica hypothetical protein 0.0043 0.5644 1
Schistosoma mansoni ap endonuclease 0.0023 0.2621 0.2509
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.2621 0.5
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.015 0.0266
Brugia malayi Low-density lipoprotein receptor domain class A containing protein 0.0006 0.015 0.0266
Loa Loa (eye worm) hypothetical protein 0.0015 0.1515 0.3733
Entamoeba histolytica hypothetical protein 0.0043 0.5644 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.2621 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.015 0.037
Brugia malayi Calcium binding EGF domain containing protein 0.0006 0.015 0.0266
Brugia malayi hypothetical protein 0.0043 0.5644 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2621 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 9.121 uM PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to identify inhibitors of cell surface Prion Protein (PRPC). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493160, AID493190] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of hexokinase domain containing I (HKDC1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493160, AID493190] ChEMBL. No reference
Potency (functional) = 0.1 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1778 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.2387 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
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.526 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) 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 Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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