Detailed information for compound 1297969

Basic information

Technical information
  • TDR Targets ID: 1297969
  • Name: N-(acenaphthen-5-ylcarbamothioyl)-3-methoxybe nzamide
  • MW: 362.445 | Formula: C21H18N2O2S
  • H donors: 2 H acceptors: 1 LogP: 5.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C(=O)NC(=S)Nc1ccc2c3c1cccc3CC2
  • InChi: 1S/C21H18N2O2S/c1-25-16-6-2-5-15(12-16)20(24)23-21(26)22-18-11-10-14-9-8-13-4-3-7-17(18)19(13)14/h2-7,10-12H,8-9H2,1H3,(H2,22,23,24,26)
  • InChiKey: UMHDAHCQCRXMKV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(acenaphthen-5-ylcarbamothioyl)-3-methoxy-benzamide
  • N-[(5-acenaphthenylamino)-thioxomethyl]-3-methoxybenzamide
  • N-(acenaphthen-5-ylthiocarbamoyl)-3-methoxy-benzamide
  • N-[(1,2-dihydro-5-acenaphthylenylamino)carbonothioyl]-3-methoxybenzamide
  • MLS000574168
  • AN-648/40666137
  • SMR000195754
  • ZINC00680895

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 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
Mycobacterium ulcerans aldehyde dehydrogenase 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans 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
Candida albicans Mitochondrial 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative 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 Retinal dehydrogenase 1, putative 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Mitochondrial aldehyde dehydrogenase 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
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
Echinococcus granulosus 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
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0039 0.0185
Echinococcus multilocularis GPCR, family 2 0.0117 0.1311 0.1311
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0039 0.0044
Loa Loa (eye worm) hypothetical protein 0.0093 0.1019 0.1144
Echinococcus multilocularis tar DNA binding protein 0.0257 0.3011 0.3011
Schistosoma mansoni tar DNA-binding protein 0.0257 0.3011 0.3011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0039 0.0044
Brugia malayi MH2 domain containing protein 0.0051 0.0505 0.0567
Loa Loa (eye worm) pigment dispersing factor receptor c 0.037 0.4378 0.4914
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0117 0.1311 0.1311
Brugia malayi MH1 domain containing protein 0.0051 0.0505 0.0567
Echinococcus granulosus TGF beta signal transducer SmadC 0.0051 0.0505 0.0505
Schistosoma mansoni glutaminase 0.0285 0.3343 0.3343
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0039 0.0039
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0039 0.0039
Brugia malayi TAR-binding protein 0.0257 0.3011 0.338
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0039 0.0039
Loa Loa (eye worm) nuclear factor I 0.0028 0.0231 0.0259
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0039 0.0044
Echinococcus multilocularis mothers against decapentaplegic 2 0.0023 0.0166 0.0166
Schistosoma mansoni eyes absent homolog 0.0093 0.1019 0.1019
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0044
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.078 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) RNA binding protein 0.0257 0.3011 0.338
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.037 0.4378 0.4914
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.078 0.078
Echinococcus granulosus mothers against decapentaplegic 2 0.0023 0.0166 0.0166
Loa Loa (eye worm) MH2 domain-containing protein 0.0051 0.0505 0.0567
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0039 0.0044
Brugia malayi RNA binding protein 0.0257 0.3011 0.338
Brugia malayi glutaminase DH11.1 0.0285 0.3343 0.3753
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0039 0.0039
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0039 0.0039
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0117 0.1311 0.1311
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0051 0.0505 0.0505
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0039 0.0039
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0039 0.0039
Echinococcus multilocularis mothers against decapentaplegic 5 0.0051 0.0505 0.0505
Loa Loa (eye worm) MH1 domain-containing protein 0.0023 0.0166 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0039 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0039 0.0044
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0039 0.0039
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0039 0.0039
Brugia malayi MH1 domain containing protein 0.0051 0.0505 0.0567
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0039 0.0044
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0044
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.078 0.078
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.078 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0044
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0039 0.0039
Brugia malayi MH1 domain containing protein 0.0028 0.0231 0.0259
Echinococcus multilocularis mothers against decapentaplegic 6 0.0023 0.0166 0.0166
Brugia malayi Latrophilin receptor protein 2 0.0117 0.1311 0.1471
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0039 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0039 0.0044
Schistosoma mansoni hypothetical protein 0.0117 0.1311 0.1311
Brugia malayi MH2 domain containing protein 0.0051 0.0505 0.0567
Loa Loa (eye worm) glutaminase 0.0285 0.3343 0.3753
Loa Loa (eye worm) MH2 domain-containing protein 0.0743 0.8909 1
Schistosoma mansoni hypothetical protein 0.0117 0.1311 0.1311
Loa Loa (eye worm) MH2 domain-containing protein 0.0023 0.0166 0.0186
Schistosoma mansoni Smad4 0.0023 0.0166 0.0166
Loa Loa (eye worm) latrophilin receptor protein 2 0.0117 0.1311 0.1471
Brugia malayi Smad1 0.0051 0.0505 0.0567
Brugia malayi mothers against decapentaplegic homolog 3 0.0023 0.0166 0.0186
Schistosoma mansoni smad1 5 8 and 0.0051 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0028 0.0231 0.0259
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0117 0.1311 0.1311
Echinococcus granulosus smad 0.0051 0.0505 0.0505
Schistosoma mansoni coup transcription factor 0.0012 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0093 0.1019 0.1144
Schistosoma mansoni smad 0.0023 0.0166 0.0166
Brugia malayi Calcitonin receptor-like protein seb-1 0.037 0.4378 0.4914
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0044
Brugia malayi latrophilin 2 splice variant baaae 0.0253 0.2958 0.332
Loa Loa (eye worm) hypothetical protein 0.0253 0.2958 0.332
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0039 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0039 0.0044
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0039 0.0039
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0039 0.0039
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.078 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0039 0.0044
Schistosoma mansoni Smad4 0.0051 0.0505 0.0505
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0051 0.0505 0.0505
Brugia malayi MH1 domain containing protein 0.0028 0.0231 0.0259
Loa Loa (eye worm) Smad1 0.0051 0.0505 0.0567
Schistosoma mansoni tar DNA-binding protein 0.0257 0.3011 0.3011
Loa Loa (eye worm) transcription factor SMAD2 0.0743 0.8909 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.1311 0.1471
Loa Loa (eye worm) glutaminase 2 0.0285 0.3343 0.3753
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0039 0.0039
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.2107 1
Schistosoma mansoni hypothetical protein 0.0117 0.1311 0.1311
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0039 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0039 0.0044
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0039 0.0039
Echinococcus granulosus mothers against decapentaplegic 5 0.0051 0.0505 0.0505
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0039 0.0039
Echinococcus granulosus Smad4 0.0051 0.0505 0.0505
Brugia malayi MH2 domain containing protein 0.0743 0.8909 1
Brugia malayi nuclear hormone receptor 0.0012 0.0039 0.0044
Brugia malayi MH2 domain containing protein 0.0023 0.0166 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0039 0.0044
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.078 0.078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0039 0.0044
Brugia malayi RNA recognition motif domain containing protein 0.0257 0.3011 0.338
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0039 0.0039
Echinococcus granulosus GPCR family 2 0.0117 0.1311 0.1311
Loa Loa (eye worm) hypothetical protein 0.037 0.4378 0.4914
Echinococcus multilocularis Smad4 0.0051 0.0505 0.0505
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0023 0.0166 0.0786
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0039 0.0044
Brugia malayi hypothetical protein 0.0093 0.1019 0.1144
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.078 0.078
Trichomonas vaginalis glutaminase, putative 0.0285 0.3343 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0039 0.0044
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0039 0.0039
Schistosoma mansoni smad1 5 8 and 0.0051 0.0505 0.0505
Loa Loa (eye worm) TAR-binding protein 0.0257 0.3011 0.338
Mycobacterium ulcerans glutaminase 0.0285 0.3343 1
Echinococcus granulosus tar DNA binding protein 0.0257 0.3011 0.3011
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0039 0.0039
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0257 0.3011 0.338
Brugia malayi N-terminal motif family protein 0.0183 0.2107 0.2365
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0039 0.0039
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0039 0.0039
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0039 0.0044
Loa Loa (eye worm) hypothetical protein 0.0023 0.0166 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0039 0.0044
Schistosoma mansoni Smad4 0.0023 0.0166 0.0166
Schistosoma mansoni tar DNA-binding protein 0.0257 0.3011 0.3011
Brugia malayi ecdysteroid receptor 0.0012 0.0039 0.0044
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0039 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0039 0.0044
Schistosoma mansoni hypothetical protein 0.0253 0.2958 0.2958
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0039 0.0039
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0117 0.1311 0.1471
Schistosoma mansoni tar DNA-binding protein 0.0257 0.3011 0.3011
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0117 0.1311 0.1311
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0039 0.0185
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0039 0.0039
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0044
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0039 0.0044
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0044
Schistosoma mansoni hypothetical protein 0.0117 0.1311 0.1311
Onchocerca volvulus 0.0012 0.0039 0.0185
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0039 0.0185
Loa Loa (eye worm) hypothetical protein 0.0183 0.2107 0.2365
Brugia malayi nuclear receptor NHR-88 0.0012 0.0039 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0039 0.0044
Schistosoma mansoni tar DNA-binding protein 0.0257 0.3011 0.3011
Loa Loa (eye worm) MH1 domain-containing protein 0.0051 0.0505 0.0567
Echinococcus granulosus mothers against decapentaplegic 6 0.0023 0.0166 0.0166
Schistosoma mansoni smad1 5 8 and 0.0051 0.0505 0.0505
Echinococcus multilocularis smad 0.0051 0.0505 0.0505
Schistosoma mansoni smad 0.0051 0.0505 0.0505
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0039 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0039 0.0044
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0039 0.0039
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0039 0.0039
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0039 0.0039
Brugia malayi steroid hormone receptor 0.0012 0.0039 0.0044

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 11.2202 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) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 14.7157 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) = 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) 20.5962 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) 23.1093 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) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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