Detailed information for compound 1361174

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 451.475 | Formula: C23H25N5O5
  • H donors: 2 H acceptors: 5 LogP: 2.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)NC(C1=O)(C)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)N1CCCCC1
  • InChi: 1S/C23H25N5O5/c1-23(16-5-9-19(10-6-16)28(32)33)21(30)27(22(31)25-23)15-20(29)24-17-7-11-18(12-8-17)26-13-3-2-4-14-26/h5-12H,2-4,13-15H2,1H3,(H,24,29)(H,25,31)
  • InChiKey: UEKPIKCLWWCHOI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) 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
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni glutaminase 0.033 0.9577 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0063 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0063
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0063 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0063 0.0063
Brugia malayi glutaminase DH11.1 0.033 0.9577 0.9577
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0063 0.0066
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1108 0.1695
Leishmania major trypanothione reductase 0.0046 0.1108 0.1695
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0063 0.0066
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0193 0.5487 1
Trypanosoma brucei trypanothione reductase 0.0046 0.1108 0.1695
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0214 0.0224
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.5487 0.5632
Echinococcus granulosus geminin 0.0165 0.4642 0.846
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0063 0.0063
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1108 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0063 0.0063
Loa Loa (eye worm) glutathione reductase 0.0046 0.1108 0.1108
Schistosoma mansoni kinase 0.0098 0.2661 0.2779
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0063 0.0115
Brugia malayi nuclear hormone receptor 0.0011 0.0063 0.0063
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0815 0.0851
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0063
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0063 0.0063
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.723 0.723
Schistosoma mansoni hypothetical protein 0.0165 0.4642 0.4847
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1108 0.202
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0063 0.0115
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0024 0.0044
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0126 0.3486 0.6353
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3209 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0967 0.0967
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1064 0.1111
Brugia malayi ecdysteroid receptor 0.0011 0.0063 0.0063
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1108 0.1108
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0308 0.0561
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0214 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0193 0.5487 1
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.355 0.355
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0024 0.0044
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3209 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0214 0.0214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1064 0.1938
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0063
Plasmodium vivax SET domain protein, putative 0.0036 0.0815 0.6714
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.2861 0.8837
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0063 0.0066
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1534 0.1534
Onchocerca volvulus 0.0036 0.0815 0.0793
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0063
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.5487 0.5632
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0024 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3209 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0308 0.0561
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0063 0.0115
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.5487 0.5632
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0024 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0063 0.0063
Schistosoma mansoni dep domain containing protein 0.001 0.0024 0.0025
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0024 0.0024
Loa Loa (eye worm) glutaminase 2 0.033 0.9577 0.9577
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0063 0.0063
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1064 0.1064
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0063 0.0115
Echinococcus granulosus GPCR family 2 0.0019 0.0308 0.0561
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0815 0.1485
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0063 0.0039
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0126 0.3486 0.6353
Schistosoma mansoni hypothetical protein 0.0019 0.0308 0.0322
Brugia malayi Pre-SET motif family protein 0.0036 0.0815 0.0815
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0024 0.0024
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0024 0.0044
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0024 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0063 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0126 0.3486 0.3486
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0214 0.1757
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.355 0.355
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0063 0.0063
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0063 0.0066
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1064 0.1111
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0063 0.0063
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1064 0.1938
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0063 0.0066
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.2861 0.8837
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0815 0.0851
Entamoeba histolytica serine/threonine protein kinase, putative 0.0193 0.5487 0.5
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0193 0.5487 0.5487
Schistosoma mansoni hypothetical protein 0.0019 0.0308 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0063 0.0063
Brugia malayi N-terminal motif family protein 0.0193 0.5501 0.5501
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0063 0.0115
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0063
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0967 0.0967
Trichomonas vaginalis glutaminase, putative 0.033 0.9577 1
Brugia malayi MH2 domain containing protein 0.0128 0.355 0.355
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0063
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.2861 0.8837
Onchocerca volvulus Serine\/threonine kinase homolog 0.0193 0.5487 0.5477
Trypanosoma cruzi polo-like protein kinase, putative 0.0193 0.5487 1
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0214 0.1757
Plasmodium vivax glutathione reductase, putative 0.0046 0.1108 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0063 0.0063
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0024 0.0044
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0308 0.0308
Brugia malayi Thioredoxin reductase 0.0046 0.1108 0.1108
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0193 0.5487 1
Brugia malayi steroid hormone receptor 0.0011 0.0063 0.0063
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.5487 0.5632
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0063 0.0066
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0063 0.0115
Toxoplasma gondii thioredoxin reductase 0.0046 0.1108 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.2585 0.2532
Onchocerca volvulus 0.0011 0.0063 0.0039
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0063 0.0115
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0308 0.0308
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1064 0.1938
Plasmodium falciparum glutathione reductase 0.0046 0.1108 1
Schistosoma mansoni hypothetical protein 0.0019 0.0308 0.0322
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3209 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1108 0.202
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0063 0.0115
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0214 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0063 0.0063
Brugia malayi serine/threonine-protein kinase plk-2 0.0193 0.5487 0.5487
Plasmodium falciparum thioredoxin reductase 0.0046 0.1108 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0308 0.0308
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0815 0.1485
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0063 0.0063
Brugia malayi glutathione reductase 0.0046 0.1108 0.1108
Schistosoma mansoni regulator of G protein signaling 0.001 0.0024 0.0025
Loa Loa (eye worm) hypothetical protein 0.0193 0.5501 0.5501
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8264 0.8598
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0024 0.0044
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0024 0.0024
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0063 0.0066
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0308 0.0561
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0024 0.0025
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0063 0.0066
Loa Loa (eye worm) glutaminase 0.033 0.9577 0.9577
Loa Loa (eye worm) hypothetical protein 0.0019 0.0308 0.0308
Treponema pallidum NADH oxidase 0.0016 0.0214 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.012 0.3316 0.3462
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0024 0.0024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1064 0.1938
Mycobacterium tuberculosis Probable reductase 0.0105 0.2861 0.8837
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.5487 0.5632
Loa Loa (eye worm) hypothetical protein 0.006 0.1534 0.1534
Schistosoma mansoni hypothetical protein 0.0165 0.4642 0.4847
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1108 0.2985
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0063 0.0115
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0063 0.0039
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0063 0.0063
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0063 0.0115
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024
Trypanosoma brucei polo-like protein kinase 0.0193 0.5487 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0815 0.0851
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0063 0.0115
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0063 0.0066
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0063 0.0066
Onchocerca volvulus 0.0344 1 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0214 0.0391
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0815 0.7292
Loa Loa (eye worm) hypothetical protein 0.0036 0.0815 0.0815
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0024
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.2861 0.8837
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0214 0.5
Mycobacterium ulcerans glutaminase 0.033 0.9577 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0063 0.0039
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0214 0.0391
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1064 0.1111
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1534 0.1534
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0063 0.0115
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0063
Schistosoma mansoni serine/threonine protein kinase 0.0193 0.5487 0.573
Onchocerca volvulus 0.0286 0.8264 0.826
Echinococcus multilocularis geminin 0.0165 0.4642 0.846
Schistosoma mansoni hypothetical protein 0.0041 0.0967 0.1009
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.5487 0.5632
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0308 0.0561
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0063 0.0115
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.2585 0.2532
Schistosoma mansoni dishevelled 0.001 0.0024 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0063 0.0063
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0089 0.0089
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0024 0.0025
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0024 0.0024
Brugia malayi hypothetical protein 0.001 0.0024 0.0024
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.2861 0.8837
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0024 0.0044
Schistosoma mansoni coup transcription factor 0.0011 0.0063 0.0066
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0063 0.0063
Trypanosoma cruzi polo-like protein kinase, putative 0.0193 0.5487 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0193 0.5501 0.549
Brugia malayi Pre-SET motif family protein 0.0251 0.723 0.723
Schistosoma mansoni hypothetical protein 0.0019 0.0308 0.0322
Schistosoma mansoni dishevelled 0.001 0.0024 0.0025
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0024 0.0044
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0126 0.3486 0.3486
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0063 0.0115
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0063 0.0066
Trichomonas vaginalis CAMK family protein kinase 0.0193 0.5487 0.5632
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1064 0.1064
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0063 0.0115
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0308 0.0561
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0063 0.0063
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0815 0.1485
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1534 0.1534
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0063 0.0063
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0063 0.0066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0815 0.0851
Brugia malayi hypothetical protein 0.001 0.0024 0.0024
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0775 0.1413
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0063 0.0063
Giardia lamblia Kinase, PLK 0.0193 0.5487 1
Brugia malayi nuclear receptor NHR-88 0.0011 0.0063 0.0063
Brugia malayi DIX domain containing protein 0.001 0.0024 0.0024

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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