Detailed information for compound 1359811

Basic information

Technical information
  • TDR Targets ID: 1359811
  • Name: 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca- 6,9-dien-9-yl)sulfanyl]-N-phenylacetamide
  • MW: 365.452 | Formula: C19H19N5OS
  • H donors: 3 H acceptors: 3 LogP: 3.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=C(C21CCCC2)C#N)N
  • InChi: 1S/C19H19N5OS/c20-10-14-17(22)24-18(15(11-21)19(14)8-4-5-9-19)26-12-16(25)23-13-6-2-1-3-7-13/h1-3,6-7,24H,4-5,8-9,12,22H2,(H,23,25)
  • InChiKey: LYVFFJVPTPITCD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenyl-acetamide
  • 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)thio]-N-phenylacetamide
  • 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)thio]-N-phenyl-acetamide
  • 2-[(7-amino-6,10-dicyano-8-azaspiro[4.5]deca-6,9-dien-9-yl)sulfanyl]-N-phenyl-ethanamide
  • STOCK1S-59370
  • MLS000104575
  • SMR000054508

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 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
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase 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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans Mitochondrial 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
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans 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
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
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Loa Loa (eye worm) TK/INSR protein kinase 0.0056 0.0043 0.0043
Brugia malayi MH2 domain containing protein 0.0263 0.0303 0.0298
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0409 0.0487 0.27
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0093 0.009 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0057 0.0057
Loa Loa (eye worm) RNA binding protein 0.0067 0.0057 0.0057
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0065 0.0062
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0052 0.0049
Brugia malayi serine/threonine kinase 12 0.0065 0.0054 0.0049
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0057 0.0057
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0057 0.0057
Loa Loa (eye worm) transcription factor SMAD2 0.0263 0.0303 0.0303
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0309 0.0361 1
Echinococcus granulosus insulin receptor 0.0056 0.0043 0.0041
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.7972 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0057 0.0057
Mycobacterium ulcerans recombinase A 0.0114 0.0116 0.2289
Brugia malayi Furin-like cysteine rich region family protein 0.0172 0.0189 0.0184
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0057 0.0057
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.329 0.4111 0.9161
Brugia malayi RNA binding protein 0.0067 0.0057 0.0051
Loa Loa (eye worm) AUR protein kinase 0.0065 0.0054 0.0054
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0048 0.0043
Mycobacterium ulcerans catalase KatE 0.0095 0.0092 0.1783
Loa Loa (eye worm) hypothetical protein 0.006 0.0048 0.0048
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0409 0.0487 1
Echinococcus granulosus tar DNA binding protein 0.0067 0.0057 0.0054
Schistosoma mansoni hypothetical protein 0.0041 0.0024 0.0024
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0358 0.0422 0.042
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0065 0.0054 0.0052
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0003 0.0003
Entamoeba histolytica protein kinase domain containing protein 0.0065 0.0054 0.0891
Echinococcus multilocularis epidermal growth factor receptor 0.0093 0.009 0.0087
Schistosoma mansoni tyrosine kinase 0.0093 0.009 0.009
Trypanosoma brucei protein kinase, putative 0.0054 0.0041 0.6453
Schistosoma mansoni Replicative DNA helicase 0.0409 0.0487 0.0487
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0151 0.0162 0.3254
Brugia malayi serine/threonine protein kinase 6 0.0065 0.0054 0.0049
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0048 0.0048
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0041 0.6453
Echinococcus granulosus aurora kinase A 0.0065 0.0054 0.0052
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0056 0.0043 0.0041
Entamoeba histolytica protein kinase, putative 0.0065 0.0054 0.0891
Brugia malayi Bromodomain containing protein 0.0079 0.0072 0.0067
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0057 0.0057
Leishmania major protein kinase, putative 0.0065 0.0054 0.5609
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0065 0.0054 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.0361 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0048 0.0043
Schistosoma mansoni hypothetical protein 0.7972 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0057 0.0051
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0065 0.0054 0.0052
Loa Loa (eye worm) MH2 domain-containing protein 0.0263 0.0303 0.0303
Loa Loa (eye worm) twinkle helicase 0.0117 0.0119 0.0119
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.7972 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.0361 1
Chlamydia trachomatis replicative DNA helicase 0.0409 0.0487 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0041 0.6453
Schistosoma mansoni tyrosine kinase 0.0091 0.0087 0.0087
Loa Loa (eye worm) AUR protein kinase 0.0065 0.0054 0.0054
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0065 0.0054 0.0891
Loa Loa (eye worm) hypothetical protein 0.0041 0.0024 0.0024
Trichomonas vaginalis AGC family protein kinase 0.0065 0.0054 0.0416
Brugia malayi Protein kinase domain containing protein 0.0056 0.0043 0.0037
Brugia malayi serine/threonine-protein kinase 6 0.0065 0.0054 0.0049
Loa Loa (eye worm) hypothetical protein 0.0075 0.0067 0.0067
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0065 0.122
Echinococcus granulosus epidermal growth factor receptor 0.0172 0.0189 0.0187
Loa Loa (eye worm) hypothetical protein 0.0045 0.0029 0.0029
Echinococcus granulosus epidermal growth factor receptor 0.0093 0.009 0.0087
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1021 0.1018
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.0361 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.002 0.0018
Schistosoma mansoni tyrosine kinase 0.0056 0.0043 0.0043
Entamoeba histolytica protein kinase, putative 0.0065 0.0054 0.0891
Echinococcus multilocularis aurora kinase A 0.0065 0.0054 0.0052
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.0361 1
Schistosoma mansoni hypothetical protein 0.0041 0.0024 0.0024
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0065 0.122
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0041 0.0038
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0041 0.6453
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1021 0.1018
Echinococcus multilocularis insulin receptor 0.0056 0.0043 0.0041
Brugia malayi TAR-binding protein 0.0067 0.0057 0.0051
Schistosoma mansoni tyrosine kinase 0.0056 0.0043 0.0043
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.7972 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0151 0.0162 0.0221
Schistosoma mansoni hypothetical protein 0.7972 1 1
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.3585 0.4481 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0151 0.0162 0.0338
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.0361 1
Brugia malayi MAP kinase sur-1 0.0054 0.0041 0.0035
Trypanosoma cruzi aurora B kinase, putative 0.0065 0.0054 1
Trypanosoma brucei aurora B kinase 0.0065 0.0054 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.0361 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0024 0.0024
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0052 0.0049
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0041 0.6453
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0024 0.0022
Schistosoma mansoni tyrosine kinase 0.0091 0.0087 0.0087
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0358 0.0422 0.042
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0054 0.0054
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0041 0.0041
Schistosoma mansoni tyrosine kinase 0.0091 0.0087 0.0087
Trichomonas vaginalis AGC family protein kinase 0.0065 0.0054 0.0416
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.0361 1
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0041 0.0038
Entamoeba histolytica protein kinase , putative 0.0065 0.0054 0.0891
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0065 0.0054 0.0891
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0358 0.0422 0.0422
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0065 0.0065
Trichomonas vaginalis AGC family protein kinase 0.0065 0.0054 0.0416
Loa Loa (eye worm) TK/EGFR protein kinase 0.0172 0.0189 0.0189
Brugia malayi Bromodomain containing protein 0.0041 0.0024 0.0018
Mycobacterium leprae Conserved hypothetical protein 0.1205 0.1488 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 0.0361 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.019 0.019
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0041 0.6453
Schistosoma mansoni bromodomain containing protein 0.0067 0.0057 0.0057
Treponema pallidum replicative DNA helicase (dnaB) 0.0409 0.0487 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.002 0.0018
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0065 0.0054 0.0891
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0057 0.0054
Giardia lamblia Fructose-bisphosphate aldolase 0.0309 0.0361 1
Schistosoma mansoni tyrosine kinase 0.0172 0.0189 0.0189
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0041 0.0041
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0309 0.0361 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0065 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0065 0.4679
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0041 0.0038
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0065 0.122
Brugia malayi hypothetical protein 0.0041 0.0024 0.0019
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0358 0.0422 0.0417
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0024 0.0019
Loa Loa (eye worm) AUR protein kinase 0.0065 0.0054 0.0054
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0065 0.0062
Schistosoma mansoni tyrosine kinase 0.0093 0.009 0.009
Plasmodium falciparum serine/threonine protein kinase, putative 0.0065 0.0054 0.5
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.0409 0.0487 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1021 0.1021
Toxoplasma gondii catalase 0.0095 0.0092 1
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0024 0.0024
Trichomonas vaginalis AGC family protein kinase 0.0065 0.0054 0.0416
Echinococcus multilocularis 0.0053 0.0039 0.0036
Treponema pallidum fructose-bisphosphate aldolase 0.0309 0.0361 0.6619
Toxoplasma gondii aurora kinase 0.0065 0.0054 0.2624
Echinococcus multilocularis epidermal growth factor receptor 0.0172 0.0189 0.0187
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0057 0.0057
Brugia malayi hypothetical protein 0.0173 0.019 0.0184
Loa Loa (eye worm) hypothetical protein 0.0043 0.0027 0.0027
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0065 0.0065
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0056 0.0043 0.0041
Giardia lamblia Aurora kinase 0.0065 0.0054 0.0416
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0041 0.0038
Onchocerca volvulus 0.0173 0.019 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0358 0.0422 0.0422
Schistosoma mansoni protein kinase 0.0065 0.0054 0.0054
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0024 0.0022

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3162 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.6511 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) = 4.4668 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) 8.2753 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) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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