Detailed information for compound 1451611

Basic information

Technical information
  • TDR Targets ID: 1451611
  • Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-o xo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-6 -carboxamide
  • MW: 464.58 | Formula: C25H28N4O3S
  • H donors: 2 H acceptors: 5 LogP: 4.3 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)CSc1nc(O)c2c(n1)ccc(c2)C(=O)NCCN1CCCCC1
  • InChi: 1S/C25H28N4O3S/c1-17-5-7-18(8-6-17)22(30)16-33-25-27-21-10-9-19(15-20(21)24(32)28-25)23(31)26-11-14-29-12-3-2-4-13-29/h5-10,15H,2-4,11-14,16H2,1H3,(H,26,31)(H,27,28,32)
  • InChiKey: WTRSJOOCPIKPPX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-(4-methylphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-N-[2-(1-piperidyl)ethyl]-1H-quinazoline-6-carboxamide
  • 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-oxo-N-[2-(1-piperidyl)ethyl]-1H-quinazoline-6-carboxamide
  • 4-keto-2-[[2-keto-2-(4-methylphenyl)ethyl]thio]-N-(2-piperidinoethyl)-1H-quinazoline-6-carboxamide
  • 2-[2-(4-methylphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-6-carboxamide
  • MLS000888919
  • SMR000462392
  • 4-Oxo-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-3,4-dihydro-quinazoline-7-carboxylic acid (2-piperidin-1-yl-ethyl)-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Loa Loa (eye worm) MH2 domain-containing protein 0.0099 0.0459 0.0459
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 0.0213 0.0213
Echinococcus multilocularis mothers against decapentaplegic 2 0.0044 0.0073 0.017
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.011 0.0256
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0064 0.0213 0.0213
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1379 0.9465 0.9465
Echinococcus granulosus mothers against decapentaplegic 2 0.0044 0.0073 0.017
Loa Loa (eye worm) hypothetical protein 0.0044 0.0073 0.0073
Schistosoma mansoni Smad4 0.0044 0.0073 0.0115
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0112 0.026
Echinococcus granulosus smad 0.0099 0.0459 0.1065
Echinococcus multilocularis GPCR, family 2 0.0436 0.2832 0.6568
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0.0213 0.0213
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0436 0.2832 0.6568
Brugia malayi Glycosyl transferase family 8 protein 0.0072 0.0267 0.0267
Brugia malayi ecdysteroid receptor 0.0064 0.0213 0.0213
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0294 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 0.0213 0.0494
Loa Loa (eye worm) latrophilin receptor protein 2 0.0436 0.2832 0.2832
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0294 0.046
Schistosoma mansoni Smad4 0.0099 0.0459 0.0718
Onchocerca volvulus 0.0064 0.0213 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0064 0.0213 0.0494
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 0.0213 0.0213
Schistosoma mansoni hypothetical protein 0.0436 0.2832 0.4428
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.0072 0.0267 0.0267
Brugia malayi Steroid receptor seven-up type 2 0.0533 0.3509 0.3509
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0064 0.0213 0.0333
Brugia malayi hypothetical protein 0.0118 0.0592 0.0592
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0064 0.0213 0.0494
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.029 0.1802 0.4178
Schistosoma mansoni smad 0.0099 0.0459 0.0718
Onchocerca volvulus Protein ultraspiracle homolog 0.0064 0.0213 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0064 0.0213 0.0333
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0035 0.0009 0.0015
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0082 0.0339 0.0786
Schistosoma mansoni tar DNA-binding protein 0.0468 0.3052 0.4773
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0294 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.029 0.1802 1
Schistosoma mansoni tar DNA-binding protein 0.0468 0.3052 0.4773
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0009
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0064 0.0213 0.0494
Brugia malayi Smad1 0.0099 0.0459 0.0459
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0436 0.2832 0.6568
Brugia malayi latrophilin 2 splice variant baaae 0.0943 0.6395 0.6395
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.029 0.1802 0.4178
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0468 0.3052 0.3052
Echinococcus granulosus glycosyltransferase protein LARGE2 0.007 0.0251 0.0582
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0112 0.026
Brugia malayi steroid hormone receptor 0.0064 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0245 0.1488 0.1488
Schistosoma mansoni tar DNA-binding protein 0.0468 0.3052 0.4773
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.007 0.0251 0.0582
Brugia malayi RNA recognition motif domain containing protein 0.0468 0.3052 0.3052
Schistosoma mansoni hypothetical protein 0.0436 0.2832 0.4428
Schistosoma mansoni RAR-like nuclear receptor 0.0064 0.0213 0.0333
Plasmodium vivax ataxin-2 like protein, putative 0.0183 0.1048 0.5005
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0064 0.0213 0.0213
Plasmodium falciparum ataxin-2 like protein, putative 0.0183 0.1048 0.5005
Schistosoma mansoni hypothetical protein 0.0436 0.2832 0.4428
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0035 0.0009 0.0009
Schistosoma mansoni thyroid hormone receptor 0.0064 0.0213 0.0333
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0064 0.0213 0.0494
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0064 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0943 0.6395 0.6395
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0064 0.0213 0.0213
Echinococcus granulosus FTZ F1 alpha 0.0064 0.0213 0.0494
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 0.0213 0.0213
Plasmodium falciparum ataxin-2 like protein, putative 0.0183 0.1048 0.5005
Toxoplasma gondii LsmAD domain-containing protein 0.0183 0.1048 0.5005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1379 0.9465 0.9465
Brugia malayi Latrophilin receptor protein 2 0.0436 0.2832 0.2832
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.029 0.1802 0.4178
Schistosoma mansoni thyroid hormone receptor 0.0064 0.0213 0.0333
Echinococcus multilocularis Glycosyltransferase protein LARGE1 0.0053 0.0137 0.0317
Toxoplasma gondii isocitrate dehydrogenase 0.029 0.1802 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.029 0.1802 0.4178
Toxoplasma gondii isocitrate dehydrogenase 0.029 0.1802 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0035 0.0009 0.0022
Loa Loa (eye worm) hypothetical protein 0.0064 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0055 0.0147 0.0147
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0064 0.0213 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0647 0.4312 1
Loa Loa (eye worm) hypothetical protein 0.0436 0.2832 0.2832
Schistosoma mansoni nuclear hormone receptor 0.0064 0.0213 0.0333
Loa Loa (eye worm) MH1 domain-containing protein 0.0099 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.0064 0.0213 0.0213
Echinococcus multilocularis isocitrate dehydrogenase 0.029 0.1802 0.4178
Echinococcus multilocularis smad 0.0099 0.0459 0.1065
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 0.0213 0.0213
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.029 0.1802 1
Echinococcus granulosus ecdysone induced protein 78C 0.0064 0.0213 0.0494
Schistosoma mansoni tar DNA-binding protein 0.0468 0.3052 0.4773
Echinococcus multilocularis mothers against decapentaplegic 5 0.0099 0.0459 0.1065
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0064 0.0213 0.0333
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.029 0.1802 1
Echinococcus granulosus Smad4 0.0099 0.0459 0.1065
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.007 0.0251 0.0582
Echinococcus granulosus tar DNA binding protein 0.0468 0.3052 0.7078
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0082 0.0339 0.0786
Brugia malayi MH1 domain containing protein 0.0099 0.0459 0.0459
Echinococcus multilocularis ecdysone induced protein 78C 0.0064 0.0213 0.0494
Brugia malayi MH2 domain containing protein 0.0099 0.0459 0.0459
Echinococcus multilocularis mothers against decapentaplegic 6 0.0044 0.0073 0.017
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.007 0.0251 0.0582
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0436 0.2832 0.6568
Loa Loa (eye worm) hypothetical protein 0.0331 0.2094 0.2094
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0533 0.3509 0.8138
Echinococcus multilocularis conserved hypothetical protein 0.0053 0.0137 0.0317
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0064 0.0213 0.0213
Schistosoma mansoni smad 0.0044 0.0073 0.0115
Loa Loa (eye worm) steroid hormone receptor 0.0064 0.0213 0.0213
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.029 0.1802 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0294 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.029 0.1802 1
Echinococcus granulosus Glycosyl transferase family 8 0.0072 0.0267 0.0619
Loa Loa (eye worm) hypothetical protein 0.1379 0.9465 0.9465
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.011 0.0564
Schistosoma mansoni smad1 5 8 and 0.0099 0.0459 0.0718
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0035 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.0213 0.0213
Onchocerca volvulus Bile acid receptor homolog 0.0064 0.0213 1
Loa Loa (eye worm) MH2 domain-containing protein 0.1455 1 1
Brugia malayi nuclear receptor NHR-88 0.0064 0.0213 0.0213
Brugia malayi MH1 domain containing protein 0.0099 0.0459 0.0459
Schistosoma mansoni unc-13 (munc13) 0.0035 0.0009 0.0015
Schistosoma mansoni glycosyltransferase-related 0.0072 0.0267 0.0418
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0294 0.0682
Echinococcus multilocularis tar DNA binding protein 0.0468 0.3052 0.7078
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0064 0.0213 0.0213
Echinococcus granulosus Glycosyltransferase protein LARGE1 0.0053 0.0137 0.0317
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0064 0.0213 0.0213
Brugia malayi Isocitrate dehydrogenase 0.029 0.1802 0.1802
Entamoeba histolytica tartrate dehydrogenase, putative 0.0035 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.0213 0.0213
Loa Loa (eye worm) nuclear factor I 0.0055 0.0147 0.0147
Loa Loa (eye worm) Smad1 0.0099 0.0459 0.0459
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0064 0.0213 0.0213
Loa Loa (eye worm) isocitrate dehydrogenase 0.029 0.1802 0.1802
Schistosoma mansoni hypothetical protein 0.0436 0.2832 0.4428
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0099 0.0459 0.0718
Schistosoma mansoni hypothetical protein 0.0943 0.6395 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0533 0.3509 0.8138
Schistosoma mansoni tar DNA-binding protein 0.0468 0.3052 0.4773
Loa Loa (eye worm) RNA binding protein 0.0468 0.3052 0.3052
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0064 0.0213 0.0494
Echinococcus multilocularis FTZ F1 alpha 0.0064 0.0213 0.0494
Echinococcus granulosus GPCR family 2 0.0436 0.2832 0.6568
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0294 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0112 0.026
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0647 0.4312 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.011 0.0564
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0112 0.0175
Loa Loa (eye worm) MH2 domain-containing protein 0.0044 0.0073 0.0073
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0112 0.0175
Loa Loa (eye worm) hypothetical protein 0.0064 0.0213 0.0213
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0035 0.0009 0.0009
Echinococcus granulosus mothers against decapentaplegic 6 0.0044 0.0073 0.017
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0064 0.0213 0.0333
Trypanosoma brucei isocitrate dehydrogenase, putative 0.029 0.1802 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0064 0.0213 0.0494
Schistosoma mansoni smad1 5 8 and 0.0099 0.0459 0.0718
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 0.0213 0.0213
Brugia malayi Probable isocitrate dehydrogenase 0.0035 0.0009 0.0009
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0064 0.0213 0.0494
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0112 0.026
Loa Loa (eye worm) TAR-binding protein 0.0468 0.3052 0.3052
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0112 0.0112
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 0.0213 0.0494
Loa Loa (eye worm) MH1 domain-containing protein 0.0044 0.0073 0.0073
Schistosoma mansoni hypothetical protein 0.0082 0.0339 0.053
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0064 0.0213 0.0213
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0099 0.0459 0.1065
Brugia malayi nuclear hormone receptor 0.0064 0.0213 0.0213
Brugia malayi TAR-binding protein 0.0468 0.3052 0.3052
Echinococcus granulosus mothers against decapentaplegic 5 0.0099 0.0459 0.1065
Brugia malayi MH1 domain containing protein 0.0055 0.0147 0.0147
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0294 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.029 0.1802 0.4178
Loa Loa (eye worm) transcription factor SMAD2 0.1455 1 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0099 0.0459 0.1065
Brugia malayi Probable ClpP-like protease 0.0076 0.0294 0.0294
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0294 1
Leishmania major hypothetical protein, conserved 0.0183 0.1048 0.5798
Brugia malayi MH1 domain containing protein 0.0055 0.0147 0.0147
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0035 0.0009 0.0009
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0064 0.0213 0.0494
Loa Loa (eye worm) hypothetical protein 0.0064 0.0213 0.0213
Schistosoma mansoni coup transcription factor 0.0064 0.0213 0.0333
Loa Loa (eye worm) nuclear hormone receptor 0.0499 0.3271 0.3271
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0064 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0183 0.1048 0.1048
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.029 0.1802 1
Loa Loa (eye worm) hypothetical protein 0.0502 0.3296 0.3296
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0112 0.0175
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 0.0213 0.0494
Brugia malayi Tyrosine-protein kinase abl-1 0.0264 0.1617 0.1617
Brugia malayi MH2 domain containing protein 0.0044 0.0073 0.0073
Schistosoma mansoni Smad4 0.0044 0.0073 0.0115
Loa Loa (eye worm) TK/ABL protein kinase 0.0647 0.4312 0.4312
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0064 0.0213 0.0333
Schistosoma mansoni retinoic acid receptor RXR 0.0064 0.0213 0.0333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0064 0.0213 0.0213
Brugia malayi photoreceptor-specific nuclear receptor 0.0331 0.2094 0.2094
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.029 0.1802 0.2817
Loa Loa (eye worm) hypothetical protein 0.0076 0.0294 0.0294
Echinococcus multilocularis tyrosine protein kinase Abl 0.0264 0.1617 0.3749
Echinococcus multilocularis Smad4 0.0099 0.0459 0.1065
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0436 0.2832 0.6568
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0294 0.0682
Echinococcus multilocularis Glycosyl transferase, family 8 0.0072 0.0267 0.0619
Brugia malayi Tyrosine-protein kinase abl-1 0.0392 0.252 0.252
Brugia malayi mothers against decapentaplegic homolog 3 0.0044 0.0073 0.0073
Schistosoma mansoni smad1 5 8 and 0.0099 0.0459 0.0718
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0035 0.0009 0.0022
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.029 0.1802 1
Schistosoma mansoni tyrosine kinase 0.0637 0.4246 0.6641
Brugia malayi Probable isocitrate dehydrogenase 0.0035 0.0009 0.0009
Echinococcus granulosus peptidase Clp S14 family 0.005 0.011 0.0256
Schistosoma mansoni isocitrate dehydrogenase 0.0035 0.0009 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0064 0.0213 0.0213
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0294 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0064 0.0213 0.0213
Brugia malayi Calcitonin receptor-like protein seb-1 0.1379 0.9465 0.9465
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0035 0.0009 0.0022
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0035 0.0009 0.0022
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.011 0.3554
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 0.0213 0.0213
Brugia malayi RNA binding protein 0.0468 0.3052 0.3052
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0064 0.0213 0.0213
Brugia malayi MH2 domain containing protein 0.0099 0.0459 0.0459
Brugia malayi hypothetical protein 0.0183 0.1048 0.1048
Schistosoma mansoni steroid hormone receptor ad4bp 0.0064 0.0213 0.0333
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0064 0.0213 0.0213
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0035 0.0009 0.0009
Brugia malayi isocitrate dehydrogenase 0.029 0.1802 0.1802
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0436 0.2832 0.2832
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 0.0213 0.0494
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0064 0.0213 0.0333

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) 7.3753 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) 7.9433 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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