Detailed information for compound 1451250

Basic information

Technical information
  • TDR Targets ID: 1451250
  • Name: N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl }-1-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-c arboxamide
  • MW: 438.346 | Formula: C20H18Cl2FN3OS
  • H donors: 1 H acceptors: 2 LogP: 5.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)n1ncc(c1C)C(=O)NCCSCc1c(F)cccc1Cl
  • InChi: 1S/C20H18Cl2FN3OS/c1-13-16(11-25-26(13)15-7-5-14(21)6-8-15)20(27)24-9-10-28-12-17-18(22)3-2-4-19(17)23/h2-8,11H,9-10,12H2,1H3,(H,24,27)
  • InChiKey: FXGOYSOUAWDDOT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • SMR000458179
  • MLS000830758

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 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 braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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 tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Brugia malayi Smad1 0.0041 0.0406 0.0399
Loa Loa (eye worm) fatty acid synthase 0.0026 0.0222 0.0215
Schistosoma mansoni smad1 5 8 and 0.0041 0.0406 0.0461
Echinococcus multilocularis geminin 0.0205 0.2435 0.2805
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0027 0.0226 0.022
Brugia malayi MH1 domain containing protein 0.0041 0.0406 0.0399
Echinococcus granulosus mothers against decapentaplegic 2 0.0018 0.0124 0.0136
Mycobacterium leprae Probable polyketide synthase Pks1 0.0028 0.0247 0.6337
Brugia malayi Latrophilin receptor protein 2 0.0258 0.3093 0.3089
Schistosoma mansoni hypothetical protein 0.0205 0.2435 0.2805
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0041 0.0406 0.0461
Schistosoma mansoni tar DNA-binding protein 0.0707 0.8663 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0025 0.0205 0.0198
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0019 0.0133 0.1655
Schistosoma mansoni hypothetical protein 0.0043 0.0435 0.0495
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0258 0.3093 0.3566
Toxoplasma gondii type I fatty acid synthase, putative 0.0028 0.0247 0.3004
Trypanosoma brucei isocitrate dehydrogenase, putative 0.005 0.0513 0.5
Echinococcus multilocularis mothers against decapentaplegic 6 0.0018 0.0124 0.0136
Echinococcus multilocularis GPCR, family 2 0.0258 0.3093 0.3566
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0806 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0226 0.2807
Brugia malayi TAR-binding protein 0.0707 0.8663 0.8662
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0258 0.3093 0.3566
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0435 0.0495
Schistosoma mansoni hypothetical protein 0.0557 0.6803 0.7851
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.005 0.0513 0.0585
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0041 0.0406 0.0461
Schistosoma mansoni smad 0.0041 0.0406 0.0461
Brugia malayi MH2 domain containing protein 0.0603 0.7371 0.737
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0124 0.0117
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0026 0.0216 0.2682
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0435 0.0495
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0806 0.0923
Loa Loa (eye worm) hypothetical protein 0.0015 0.0081 0.0075
Onchocerca volvulus 0.0046 0.0471 0.2179
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0028 0.0247 0.3062
Brugia malayi RNA binding protein 0.0707 0.8663 0.8662
Echinococcus granulosus mothers against decapentaplegic 6 0.0018 0.0124 0.0136
Schistosoma mansoni hypothetical protein 0.0258 0.3093 0.3566
Brugia malayi MH1 domain containing protein 0.0023 0.0178 0.0172
Schistosoma mansoni Smad4 0.0041 0.0406 0.0461
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.0226 0.2807
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0018 0.0124 0.0551
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0258 0.3093 0.3566
Schistosoma mansoni tar DNA-binding protein 0.0707 0.8663 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0022 0.0166 0.2062
Loa Loa (eye worm) nuclear factor I 0.0023 0.0178 0.0172
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0806 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0513 0.0585
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0806 0.0923
Toxoplasma gondii isocitrate dehydrogenase 0.005 0.0513 0.6339
Schistosoma mansoni Smad4 0.0018 0.0124 0.0136
Brugia malayi N-terminal motif family protein 0.0181 0.2136 0.2131
Echinococcus granulosus tar DNA binding protein 0.0707 0.8663 1
Brugia malayi isocitrate dehydrogenase 0.005 0.0513 0.0507
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.005 0.0513 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0124 0.0117
Loa Loa (eye worm) RNA binding protein 0.0707 0.8663 0.8662
Mycobacterium ulcerans thioesterase 0.0022 0.0171 0.2125
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0021 0.0162 0.2008
Loa Loa (eye worm) hypothetical protein 0.0258 0.3093 0.3089
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.005 0.0513 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0513 0.0585
Mycobacterium ulcerans polyketide synthase Pks9 0.0018 0.0115 0.1421
Schistosoma mansoni hypothetical protein 0.0258 0.3093 0.3566
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.6824 0.7875
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0028 0.0247 0.3062
Mycobacterium tuberculosis Polyketide synthase Pks13 0.004 0.0389 0.4832
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0806 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0178 0.0172
Onchocerca volvulus 0.0025 0.0205 0.093
Schistosoma mansoni tar DNA-binding protein 0.0707 0.8663 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0028 0.0247 0.3062
Entamoeba histolytica hypothetical protein 0.0043 0.0435 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0806 1
Echinococcus granulosus geminin 0.0205 0.2435 0.2805
Mycobacterium ulcerans polyketide synthase 0.0027 0.0226 0.2807
Loa Loa (eye worm) Smad1 0.0041 0.0406 0.0399
Brugia malayi MH1 domain containing protein 0.0041 0.0406 0.0399
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.0247 0.3062
Loa Loa (eye worm) latrophilin receptor protein 2 0.0258 0.3093 0.3089
Entamoeba histolytica hypothetical protein 0.0043 0.0435 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.005 0.0513 0.6339
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0021 0.0162 0.2008
Schistosoma mansoni smad1 5 8 and 0.0041 0.0406 0.0461
Brugia malayi latrophilin 2 splice variant baaae 0.0557 0.6803 0.6801
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0806 0.0923
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0013 0.0063 0.0707
Brugia malayi MH2 domain containing protein 0.0041 0.0406 0.0399
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.005 0.0513 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0707 0.8663 0.8662
Echinococcus multilocularis tar DNA binding protein 0.0707 0.8663 1
Brugia malayi hypothetical protein 0.0043 0.0435 0.0429
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0258 0.3093 0.3089
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0018 0.0115 0.1421
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.005 0.0513 0.6369
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0435 0.0495
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0027 0.0226 0.2807
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.005 0.0513 0.0585
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0025 0.0205 0.2538
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0226 0.2807
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.6824 0.7875
Echinococcus granulosus Smad4 0.0041 0.0406 0.0461
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0028 0.0247 0.3062
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0406 0.0399
Echinococcus multilocularis mothers against decapentaplegic 2 0.0018 0.0124 0.0136
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0814 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0026 0.0216 0.2682
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0027 0.0226 0.2807
Echinococcus multilocularis mothers against decapentaplegic 5 0.0041 0.0406 0.0461
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0028 0.0247 0.6337
Brugia malayi Calcitonin receptor-like protein seb-1 0.0814 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0806 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.005 0.0513 0.0585
Loa Loa (eye worm) hypothetical protein 0.0814 1 1
Echinococcus multilocularis Smad4 0.0041 0.0406 0.0461
Echinococcus granulosus TGF beta signal transducer SmadC 0.0041 0.0406 0.0461
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.6824 0.7875
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0017 0.011 0.1298
Entamoeba histolytica hypothetical protein 0.0043 0.0435 0.5
Brugia malayi MH1 domain containing protein 0.0023 0.0178 0.0172
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0205 0.0198
Brugia malayi MH2 domain containing protein 0.0041 0.0406 0.0399
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0027 0.0226 0.2807
Echinococcus granulosus neuropeptide s receptor 0.0558 0.6824 0.7875
Loa Loa (eye worm) hypothetical protein 0.0018 0.0124 0.0117
Echinococcus granulosus smad 0.0041 0.0406 0.0461
Loa Loa (eye worm) acyl carrier protein 0.0012 0.0048 0.0042
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0806 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0018 0.0115 0.2941
Mycobacterium tuberculosis Probable thioesterase TesA 0.0022 0.0171 0.2125
Schistosoma mansoni smad1 5 8 and 0.0041 0.0406 0.0461
Schistosoma mansoni tar DNA-binding protein 0.0707 0.8663 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0022 0.0171 0.4398
Schistosoma mansoni hypothetical protein 0.0205 0.2435 0.2805
Loa Loa (eye worm) hypothetical protein 0.0557 0.6803 0.6801
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0258 0.3093 0.3566
Schistosoma mansoni hypothetical protein 0.0258 0.3093 0.3566
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0406 0.0399
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0513 0.0585
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.004 0.0389 0.4832
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0513 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0181 0.2136 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0027 0.0226 0.2807
Schistosoma mansoni smad 0.0018 0.0124 0.0136
Loa Loa (eye worm) TAR-binding protein 0.0707 0.8663 0.8662
Loa Loa (eye worm) isocitrate dehydrogenase 0.005 0.0513 0.0507
Loa Loa (eye worm) MH2 domain-containing protein 0.0603 0.7371 0.737
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0513 0.5
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.005 0.0522 0.0515
Schistosoma mansoni Smad4 0.0018 0.0124 0.0136
Loa Loa (eye worm) transcription factor SMAD2 0.0603 0.7371 0.737
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0009 0.001 0.0121
Mycobacterium ulcerans thioesterase TesA 0.0022 0.0171 0.2125
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0027 0.0226 0.581
Brugia malayi Isocitrate dehydrogenase 0.005 0.0513 0.0507
Echinococcus granulosus mothers against decapentaplegic 5 0.0041 0.0406 0.0461
Mycobacterium ulcerans polyketide synthase Pks13 0.004 0.0389 0.4832
Loa Loa (eye worm) hypothetical protein 0.0045 0.0451 0.0444
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0021 0.0162 0.4155
Echinococcus granulosus GPCR family 2 0.0258 0.3093 0.3566
Echinococcus multilocularis isocitrate dehydrogenase 0.005 0.0513 0.0585
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0027 0.0226 0.581
Onchocerca volvulus Fatty acid synthase homolog 0.0048 0.0491 0.2275
Brugia malayi mothers against decapentaplegic homolog 3 0.0018 0.0124 0.0117
Toxoplasma gondii type I fatty acid synthase, putative 0.0019 0.0131 0.1559
Schistosoma mansoni hypothetical protein 0.0258 0.3093 0.3566
Echinococcus multilocularis smad 0.0041 0.0406 0.0461
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0011 0.003 0.0369
Brugia malayi RNA recognition motif domain containing protein 0.0707 0.8663 0.8662
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0015 0.0084 0.1041
Mycobacterium leprae Polyketide synthase Pks13 0.004 0.0389 1
Brugia malayi MH2 domain containing protein 0.0018 0.0124 0.0117
Schistosoma mansoni tar DNA-binding protein 0.0707 0.8663 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0806 0.0923
Entamoeba histolytica hypothetical protein 0.0043 0.0435 0.5
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0028 0.0247 0.6337
Loa Loa (eye worm) hypothetical protein 0.0181 0.2136 0.2131
Mycobacterium ulcerans polyketide synthase 0.0028 0.0247 0.3062

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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.
 
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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