Detailed information for compound 40768

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 375.81 | Formula: C17H18ClN5O3
  • H donors: 3 H acceptors: 5 LogP: 0.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccccc1
  • InChi: 1S/C17H18ClN5O3/c18-6-11-13(24)14(25)17(26-11)23-9-22-12-15(20-8-21-16(12)23)19-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-25H,6-7H2,(H,19,20,21)
  • InChiKey: VFICWCCQMHAXFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0045 0.0524 0.0648
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0463 0.8086 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Entamoeba histolytica thioredoxin reductase, putative 0.0016 0 0.5
Brugia malayi Pre-SET motif family protein 0.0435 0.7584 0.9379
Onchocerca volvulus Protein ultraspiracle homolog 0.0463 0.8086 0.9324
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0062 0.082 0.1014
Brugia malayi Thioredoxin reductase 0.0178 0.2926 0.3619
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0406 0.7055 0.8958
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0218 0.3658 0.4523
Toxoplasma gondii NADPH-glutathione reductase 0.0062 0.082 0.2803
Brugia malayi nuclear hormone receptor 0.0218 0.3658 0.4523
Plasmodium falciparum thioredoxin reductase 0.0178 0.2926 1
Loa Loa (eye worm) hypothetical protein 0.0463 0.8086 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0463 0.8086 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0218 0.3658 0.4523
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0463 0.8086 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0218 0.3658 0.4523
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0463 0.8086 1
Loa Loa (eye worm) thioredoxin reductase 0.0178 0.2926 0.3619
Brugia malayi Pre-SET motif family protein 0.0062 0.0834 0.1031
Loa Loa (eye worm) hypothetical protein 0.0463 0.8086 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0427 0.0427
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0463 0.8086 1
Brugia malayi Nuclear hormone receptor-like 1 0.0463 0.8086 1
Brugia malayi orphan nuclear receptor NR2E1 0.0218 0.3658 0.4523
Loa Loa (eye worm) hypothetical protein 0.0245 0.4132 0.511
Brugia malayi ecdysteroid receptor 0.0463 0.8086 1
Schistosoma mansoni thyroid hormone receptor 0.0463 0.8086 0.8086
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0016 0 0.5
Entamoeba histolytica disulphide oxidoreductase, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0463 0.8086 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0463 0.8086 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0062 0.082 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0062 0.0834 0.1031
Brugia malayi nuclear hormone receptor family member odr-7 0.0218 0.3658 0.4523
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.082 0.2803
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0322 0.0372
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0016 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0245 0.4132 0.4132
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0463 0.8086 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0218 0.3658 0.4523
Loa Loa (eye worm) hypothetical protein 0.0245 0.4132 0.511
Onchocerca volvulus 0.0218 0.3658 0.4218
Echinococcus granulosus nuclear receptor nhr 48 0.0218 0.3658 0.4523
Brugia malayi tailless protein 0.0218 0.3658 0.4523
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0463 0.8086 1
Echinococcus granulosus ecdysone induced protein 78C 0.0463 0.8086 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0322 0.0372
Loa Loa (eye worm) glutathione reductase 0.0178 0.2926 0.3619
Trypanosoma cruzi trypanothione reductase, putative 0.0062 0.082 0.2803
Plasmodium falciparum thioredoxin reductase 0.0062 0.082 0.2803
Trichomonas vaginalis glutathione reductase, putative 0.0062 0.082 0.0946
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0062 0.082 0.2803
Brugia malayi hypothetical protein 0.0245 0.4132 0.511
Brugia malayi conserved hypotetical protein 0.0218 0.3658 0.4523
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0834 0.0834
Schistosoma mansoni nuclear hormone receptor 0.0463 0.8086 0.8086
Onchocerca volvulus 0.0218 0.3658 0.4218
Mycobacterium tuberculosis Probable dehydrogenase 0.0406 0.7055 0.8958
Brugia malayi nuclear hormone receptor 0.0463 0.8086 1
Schistosoma mansoni zinc finger protein 0.0218 0.3658 0.3658
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0406 0.7055 0.8958
Brugia malayi photoreceptor-specific nuclear receptor 0.0463 0.8086 1
Brugia malayi nuclear receptor RXR 0.0218 0.3658 0.4523
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0463 0.8086 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Loa Loa (eye worm) hypothetical protein 0.0245 0.4132 0.511
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0463 0.8086 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.082 0.2803
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0245 0.4132 0.511
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0463 0.8086 0.9324
Brugia malayi Nuclear hormone receptor-like 1 0.0245 0.4132 0.511
Onchocerca volvulus 0.0062 0.0834 0.0962
Echinococcus multilocularis thyroid hormone receptor alpha 0.0463 0.8086 1
Schistosoma mansoni nuclear receptor 0.0218 0.3658 0.3658
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0463 0.8086 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Trichomonas vaginalis mercuric reductase, putative 0.0062 0.082 0.0946
Brugia malayi Nuclear hormone receptor E75 0.0218 0.3658 0.4523
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0062 0.082 0.2803
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0463 0.8086 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0278 0.0344
Echinococcus granulosus thioredoxin glutathione reductase 0.0179 0.2945 0.3642
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0452 0.7875 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0452 0.7875 1
Brugia malayi steroid hormone receptor 0.0463 0.8086 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0834 0.285
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0559 0.0691
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0218 0.3658 0.3658
Echinococcus multilocularis nuclear receptor nhr 48 0.0218 0.3658 0.4523
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0463 0.8086 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0062 0.082 0.2803
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0062 0.082 0.1014
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.082 0.2803
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0463 0.8086 1
Echinococcus granulosus FTZ F1 alpha 0.0463 0.8086 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0218 0.3658 0.4523
Loa Loa (eye worm) hypothetical protein 0.0463 0.8086 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0463 0.8086 0.8086
Plasmodium falciparum glutathione reductase 0.0178 0.2926 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0463 0.8086 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0218 0.3658 0.3658
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0062 0.082 0.2803
Brugia malayi Steroid receptor seven-up type 2 0.0463 0.8086 1
Schistosoma mansoni RAR-like nuclear receptor 0.0463 0.8086 0.8086
Leishmania major trypanothione reductase 0.0178 0.2926 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0245 0.4132 0.511
Brugia malayi hypothetical protein 0.0218 0.3658 0.4523
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0463 0.8086 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0463 0.8086 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0792 0.098
Loa Loa (eye worm) DR-78 0.0218 0.3658 0.4523
Loa Loa (eye worm) hypothetical protein 0.0463 0.8086 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0366 0.0453
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0463 0.8086 0.8086
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0178 0.2926 0.3716
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0463 0.8086 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0062 0.082 0.2803
Schistosoma mansoni nuclear hormone receptor 0.0218 0.3658 0.3658
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0559 0.0691
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0062 0.082 0.1014
Echinococcus multilocularis FTZ F1 alpha 0.0463 0.8086 1
Brugia malayi glutathione reductase 0.0178 0.2926 0.3619
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0062 0.082 0.2803
Treponema pallidum NADH oxidase 0.0062 0.082 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.082 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0062 0.082 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0463 0.8086 0.8086
Schistosoma mansoni nuclear hormone receptor 0.0218 0.3658 0.3658
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0463 0.8086 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0062 0.082 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0062 0.082 0.2803
Schistosoma mansoni coup transcription factor 0.0463 0.8086 0.8086
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0463 0.8086 1
Plasmodium vivax SET domain protein, putative 0.0062 0.0834 0.285
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0245 0.4132 0.4132
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0463 0.8086 1
Trichomonas vaginalis set domain proteins, putative 0.0496 0.8672 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0016 0 0.5
Brugia malayi hypothetical protein 0.0218 0.3658 0.4523
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0406 0.7055 0.8958
Loa Loa (eye worm) hypothetical protein 0.0062 0.0834 0.1031
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0463 0.8086 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0062 0.082 0.2803
Schistosoma mansoni thyroid hormone receptor 0.0463 0.8086 0.8086
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0218 0.3658 0.4218
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0834 0.0834
Brugia malayi nuclear receptor NHR-88 0.0218 0.3658 0.4523
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0062 0.082 0.082
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0834 0.1031
Loa Loa (eye worm) hypothetical protein 0.0245 0.4132 0.511
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0045 0.0524 0.0648
Plasmodium vivax thioredoxin reductase, putative 0.0178 0.2926 1
Brugia malayi hypothetical protein 0.0245 0.4132 0.511
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0559 0.0691
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Onchocerca volvulus 0.0496 0.8672 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.082 0.2803
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0559 0.0559
Brugia malayi Nuclear hormone receptor E75 0.0218 0.3658 0.4523
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0218 0.3658 0.4523
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0463 0.8086 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Brugia malayi nuclear receptor NHR-88 0.0463 0.8086 1
Brugia malayi Nuclear hormone receptor-like 1 0.0245 0.4132 0.511
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0062 0.082 0.1042
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0245 0.4132 0.511
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0463 0.8086 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0463 0.8086 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0463 0.8086 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0218 0.3658 0.4523
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0062 0.082 0.2803
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0559 0.0691
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0406 0.7055 0.8958
Trypanosoma brucei trypanothione reductase 0.0178 0.2926 1
Loa Loa (eye worm) hypothetical protein 0.0463 0.8086 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0062 0.082 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0062 0.082 0.2803
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0218 0.3658 0.4523
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0366 0.0453
Brugia malayi nuclear receptor NHR-67 0.0218 0.3658 0.4523
Loa Loa (eye worm) hypothetical protein 0.0463 0.8086 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0463 0.8086 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0062 0.082 1
Loa Loa (eye worm) hypothetical protein 0.0463 0.8086 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0366 0.0453
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0062 0.082 0.2803
Toxoplasma gondii thioredoxin reductase 0.0178 0.2926 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0559 0.0559
Loa Loa (eye worm) nuclear receptor NHR-67 0.0218 0.3658 0.4523
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0463 0.8086 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0559 0.0559
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0406 0.7055 0.8958
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0463 0.8086 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0559 0.0691
Echinococcus granulosus thyroid hormone receptor alpha 0.0218 0.3658 0.4523
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0463 0.8086 0.8086
Loa Loa (eye worm) hypothetical protein 0.0218 0.3658 0.4523
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0834 0.0834
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0062 0.082 1
Schistosoma mansoni nuclear receptor nhr-48 0.0218 0.3658 0.3658
Plasmodium vivax glutathione reductase, putative 0.0178 0.2926 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0435 0.7584 0.9379
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0218 0.3658 0.4218
Loa Loa (eye worm) hypothetical protein 0.0463 0.8086 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0366 0.0453
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0463 0.8086 0.8086
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0062 0.0834 0.1031
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0463 0.8086 0.8086
Brugia malayi nuclear receptor RXR 0.0245 0.4132 0.511
Schistosoma mansoni nuclear receptor 0.0218 0.3658 0.3658
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0016 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0559 0.0691
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0062 0.082 0.2803
Brugia malayi ecdysone receptor 0.0218 0.3658 0.4523
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0218 0.3658 0.4523
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0062 0.082 1
Trypanosoma cruzi trypanothione reductase, putative 0.0178 0.2926 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0463 0.8086 1
Onchocerca volvulus 0.0463 0.8086 0.9324
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0452 0.7875 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0834 0.0834
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0427 0.0427
Echinococcus granulosus Nuclear hormone receptor HR96 0.0218 0.3658 0.4523
Mycobacterium tuberculosis Probable oxidoreductase 0.0452 0.7875 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0218 0.3658 0.4523
Mycobacterium tuberculosis Probable reductase 0.0406 0.7055 0.8958
Loa Loa (eye worm) nuclear hormone receptor 0.0218 0.3658 0.4523
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0463 0.8086 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.4132 0.511
Schistosoma mansoni retinoic acid receptor RXR 0.0463 0.8086 0.8086
Echinococcus multilocularis thioredoxin glutathione reductase 0.0179 0.2945 0.3642
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0062 0.082 0.2803
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0218 0.3658 0.4523
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0463 0.8086 0.8086
Onchocerca volvulus Bile acid receptor homolog 0.0463 0.8086 0.9324
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0062 0.082 1
Plasmodium falciparum glutathione reductase 0.0062 0.082 0.2803
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0016 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0463 0.8086 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0463 0.8086 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0062 0.082 1
Loa Loa (eye worm) steroid hormone receptor 0.0463 0.8086 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0062 0.082 0.2803

Activities

Activity type Activity value Assay description Source Reference
Displacement (binding) = 47 % Percentage displacement of [3H]-DPCPX from rat cortical membranes Adenosine A1 receptor at 10 uM ChEMBL. 10212125
Ki (binding) = 641 nM Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membranes ChEMBL. 10212125
Ki (binding) = 1860 nM Binding affinity athuman Adenosine A3 receptor expressed in HEK 293 cells by [125I]-AB-MECA displacement. ChEMBL. 10212125
Radioligand bound (functional) = 13 % Percentage of [35S]-GTP-gammaS, binding to the human adenosine A3 receptor stimulated at 10E-4 M ChEMBL. 10212125
Ratio (binding) > 5.4 Ratio of displacement of A1 receptor to A3 receptor ChEMBL. 10212125

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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