Detailed information for compound 1317902

Basic information

Technical information
  • TDR Targets ID: 1317902
  • Name: N,N'-bis(4-acetylphenyl)-2-methylpiperazine-1 ,4-dicarbothioamide
  • MW: 454.608 | Formula: C23H26N4O2S2
  • H donors: 0 H acceptors: 2 LogP: 3.64 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=Nc1ccc(cc1)C(=O)C)N1CCN(C(C1)C)C(=Nc1ccc(cc1)C(=O)C)S
  • InChi: 1S/C23H26N4O2S2/c1-15-14-26(22(30)24-20-8-4-18(5-9-20)16(2)28)12-13-27(15)23(31)25-21-10-6-19(7-11-21)17(3)29/h4-11,15H,12-14H2,1-3H3,(H,24,30)(H,25,31)
  • InChiKey: ZKYXVFYXPUCHBK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N,N'-bis(4-acetylphenyl)-2-methyl-piperazine-1,4-dicarbothioamide
  • N,N'-bis(4-ethanoylphenyl)-2-methyl-piperazine-1,4-dicarbothioamide
  • N,N'-bis(4-acetylphenyl)-2-methyl-1,4-piperazinedicarbothioamide
  • SMR000296283
  • A3325/0141207
  • MLS000664827

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis 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
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Smad1 0.0193 0.0512 0.0512
Echinococcus multilocularis peptidase Clp (S14 family) 0.0552 0.1801 0.5596
Trypanosoma brucei PAB1-binding protein , putative 0.0348 0.1071 1
Echinococcus granulosus smad 0.0193 0.0512 0.1591
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.029 0.086 0.3027
Loa Loa (eye worm) glutaminase 0.0294 0.0874 0.0874
Toxoplasma gondii LsmAD domain-containing protein 0.0348 0.1071 0.3766
Echinococcus granulosus peptidase Clp S14 family 0.0552 0.1801 0.5596
Schistosoma mansoni tar DNA-binding protein 0.0946 0.3218 0.7946
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1722 0.6009 0.6009
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0552 0.1801 0.6282
Brugia malayi N-terminal motif family protein 0.0218 0.0602 0.0602
Brugia malayi mbt repeat family protein 0.0058 0.0025 0.0025
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0545 0.1777 0.5522
Echinococcus granulosus mothers against decapentaplegic 5 0.0193 0.0512 0.1591
Brugia malayi latrophilin 2 splice variant baaae 0.1177 0.405 0.405
Entamoeba histolytica hypothetical protein 0.0075 0.0089 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.0336 0.1044
Brugia malayi hypothetical protein 0.0075 0.0089 0.0089
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0841 0.2843 1
Brugia malayi MH2 domain containing protein 0.0086 0.0128 0.0128
Echinococcus granulosus replication factor c subunit 1 0.0062 0.004 0.0125
Loa Loa (eye worm) hypothetical protein 0.0062 0.004 0.004
Echinococcus multilocularis mothers against decapentaplegic 6 0.0086 0.0128 0.0399
Schistosoma mansoni Smad4 0.0086 0.0128 0.0317
Brugia malayi glutaminase DH11.1 0.0294 0.0874 0.0874
Echinococcus multilocularis smad 0.0193 0.0512 0.1591
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.0336 0.1044
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.004 0.0377
Schistosoma mansoni smad1 5 8 and 0.0193 0.0512 0.1264
Plasmodium falciparum ataxin-2 like protein, putative 0.0348 0.1071 0.3766
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.0634 0.1971
Loa Loa (eye worm) hypothetical protein 0.0062 0.004 0.004
Loa Loa (eye worm) MBCTL1 0.0066 0.0054 0.0054
Brugia malayi MH1 domain containing protein 0.0193 0.0512 0.0512
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0193 0.0512 0.1591
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0841 0.2843 0.8834
Schistosoma mansoni Smad4 0.0086 0.0128 0.0317
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2814 0.6948
Loa Loa (eye worm) nuclear factor I 0.0107 0.0202 0.0202
Trichomonas vaginalis glutaminase, putative 0.0294 0.0874 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0025 0.0063
Schistosoma mansoni hypothetical protein 0.0545 0.1777 0.4388
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0545 0.1777 0.5522
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0062 0.004 0.0377
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.0089 0.0219
Echinococcus multilocularis mothers against decapentaplegic 5 0.0193 0.0512 0.1591
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.029 0.086 0.2926
Loa Loa (eye worm) TAR-binding protein 0.0946 0.3218 0.3218
Loa Loa (eye worm) hypothetical protein 0.1177 0.405 0.405
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0545 0.1777 0.1777
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0025 0.0079
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.0602 0.5885
Schistosoma mansoni hypothetical protein 0.0545 0.1777 0.4388
Echinococcus granulosus mothers against decapentaplegic 2 0.0086 0.0128 0.0399
Loa Loa (eye worm) hypothetical protein 0.0066 0.0054 0.0054
Loa Loa (eye worm) MH2 domain-containing protein 0.2832 1 1
Schistosoma mansoni hypothetical protein 0.0545 0.1777 0.4388
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0025 0.0063
Echinococcus multilocularis Smad4 0.0193 0.0512 0.1591
Schistosoma mansoni chromosome transmission fidelity factor 0.0062 0.004 0.01
Loa Loa (eye worm) RNA binding protein 0.0946 0.3218 0.3218
Loa Loa (eye worm) MH2 domain-containing protein 0.0086 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0545 0.1777 0.1777
Loa Loa (eye worm) hypothetical protein 0.0086 0.0128 0.0128
Leishmania major hypothetical protein, conserved 0.0348 0.1071 1
Schistosoma mansoni topbp1 0.0062 0.004 0.01
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0086 0.0128 0.1051
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0025 0.0079
Loa Loa (eye worm) hypothetical protein 0.0218 0.0602 0.0602
Mycobacterium ulcerans glutaminase 0.0294 0.0874 0.2975
Brugia malayi DKFZp564C0469 protein 0.0062 0.004 0.004
Brugia malayi TAR-binding protein 0.0946 0.3218 0.3218
Brugia malayi Probable ClpP-like protease 0.0841 0.2843 0.2843
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0841 0.2843 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0054 0.0134
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.0336 0.0336
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0552 0.1801 1
Brugia malayi mbt repeat family protein 0.0058 0.0025 0.0025
Entamoeba histolytica hypothetical protein 0.0075 0.0089 1
Brugia malayi Latrophilin receptor protein 2 0.0545 0.1777 0.1777
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0025 0.0025
Brugia malayi RNA recognition motif domain containing protein 0.0946 0.3218 0.3218
Onchocerca volvulus 0.01 0.0179 0.157
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.0089 0.0275
Schistosoma mansoni tar DNA-binding protein 0.0946 0.3218 0.7946
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.029 0.086 0.3027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.0336 0.0829
Brugia malayi MH2 domain containing protein 0.0193 0.0512 0.0512
Loa Loa (eye worm) hypothetical protein 0.0062 0.004 0.004
Onchocerca volvulus 0.033 0.1005 1
Schistosoma mansoni hypothetical protein 0.1177 0.405 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0841 0.2843 0.7019
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0545 0.1777 0.5522
Brugia malayi hypothetical protein 0.0348 0.1071 0.1071
Brugia malayi MH2 domain containing protein 0.0193 0.0512 0.0512
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.004 0.0377
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0841 0.2843 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.004 0.004
Plasmodium vivax ataxin-2 like protein, putative 0.0348 0.1071 0.3766
Brugia malayi hypothetical protein 0.0225 0.0627 0.0627
Loa Loa (eye worm) hypothetical protein 0.0841 0.2843 0.2843
Trypanosoma cruzi FHA domain containing protein, putative 0.0062 0.004 0.0377
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0156 0.038 0.1181
Schistosoma mansoni topbp1 0.0062 0.004 0.01
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0156 0.038 0.1181
Plasmodium falciparum replication factor C subunit 1, putative 0.0062 0.004 0.0142
Brugia malayi mothers against decapentaplegic homolog 3 0.0086 0.0128 0.0128
Loa Loa (eye worm) MH2 domain-containing protein 0.0193 0.0512 0.0512
Trypanosoma cruzi PAB1-binding protein , putative 0.0348 0.1071 1
Schistosoma mansoni hypothetical protein 0.035 0.1077 0.2659
Loa Loa (eye worm) hypothetical protein 0.033 0.1005 0.1005
Schistosoma mansoni smad 0.0086 0.0128 0.0317
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0179 0.0443
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0179 0.0557
Echinococcus granulosus tar DNA binding protein 0.0946 0.3218 1
Toxoplasma gondii ATPase, AAA family protein 0.0062 0.004 0.0142
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.0336 0.1044
Schistosoma mansoni smad1 5 8 and 0.0193 0.0512 0.1264
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0841 0.2843 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0179 0.0179
Entamoeba histolytica hypothetical protein 0.0075 0.0089 1
Echinococcus multilocularis replication factor c subunit 1 0.0062 0.004 0.0125
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2814 0.8744
Echinococcus multilocularis mothers against decapentaplegic 2 0.0086 0.0128 0.0399
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0193 0.0512 0.1264
Schistosoma mansoni hypothetical protein 0.0545 0.1777 0.4388
Schistosoma mansoni smad 0.0193 0.0512 0.1264
Loa Loa (eye worm) hypothetical protein 0.0062 0.004 0.004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.0336 0.0829
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0179 0.0179
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0946 0.3218 0.3218
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0841 0.2843 1
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0025 0.0079
Schistosoma mansoni hypothetical protein 0.0156 0.038 0.0938
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.0336 0.0336
Loa Loa (eye worm) transcription factor SMAD2 0.2832 1 1
Brugia malayi MH1 domain containing protein 0.0193 0.0512 0.0512
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0054 0.0168
Loa Loa (eye worm) glutaminase 2 0.0294 0.0874 0.0874
Echinococcus multilocularis nibrin 0.0062 0.004 0.0125
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0841 0.2843 1
Echinococcus multilocularis tar DNA binding protein 0.0946 0.3218 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0841 0.2843 0.8834
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0054 0.0054
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0841 0.2843 1
Brugia malayi hypothetical protein 0.0062 0.004 0.004
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.0634 0.1971
Loa Loa (eye worm) hypothetical protein 0.1722 0.6009 0.6009
Brugia malayi hypothetical protein 0.033 0.1005 0.1005
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0062 0.004 0.0142
Loa Loa (eye worm) MH1 domain-containing protein 0.0086 0.0128 0.0128
Echinococcus multilocularis GPCR, family 2 0.0545 0.1777 0.5522
Loa Loa (eye worm) latrophilin receptor protein 2 0.0545 0.1777 0.1777
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0025 0.0063
Schistosoma mansoni tar DNA-binding protein 0.0946 0.3218 0.7946
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.0089 0.0275
Schistosoma mansoni DNA ligase IV 0.0062 0.004 0.01
Brugia malayi Pax transcription activation domain interacting protein 0.0062 0.004 0.004
Echinococcus granulosus TGF beta signal transducer SmadC 0.0193 0.0512 0.1591
Echinococcus granulosus Smad4 0.0193 0.0512 0.1591
Schistosoma mansoni Smad4 0.0193 0.0512 0.1264
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0841 0.2843 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0054 0.0168
Entamoeba histolytica hypothetical protein 0.0075 0.0089 1
Plasmodium vivax replication factor C subunit 1, putative 0.0062 0.004 0.0142
Loa Loa (eye worm) hypothetical protein 0.0062 0.004 0.004
Schistosoma mansoni glutaminase 0.0294 0.0874 0.2158
Schistosoma mansoni tar DNA-binding protein 0.0946 0.3218 0.7946
Brugia malayi Calcitonin receptor-like protein seb-1 0.1722 0.6009 0.6009
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0841 0.2843 1
Brugia malayi RNA binding protein 0.0946 0.3218 0.3218
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0552 0.1801 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0054 0.0168
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0841 0.2843 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0025 0.0025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.0336 0.1044
Schistosoma mansoni smad1 5 8 and 0.0193 0.0512 0.1264
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0025 0.0079
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0841 0.2843 1
Brugia malayi MH1 domain containing protein 0.0107 0.0202 0.0202
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.0336 0.0829
Echinococcus granulosus mothers against decapentaplegic 6 0.0086 0.0128 0.0399
Loa Loa (eye worm) hypothetical protein 0.0107 0.0202 0.0202
Echinococcus granulosus GPCR family 2 0.0545 0.1777 0.5522
Brugia malayi MH1 domain containing protein 0.0107 0.0202 0.0202
Toxoplasma gondii hypothetical protein 0.029 0.086 0.3027
Loa Loa (eye worm) hypothetical protein 0.0348 0.1071 0.1071
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.029 0.086 0.2926
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0054 0.0168
Giardia lamblia Replication factor C, subunit 1 0.0062 0.004 0.5
Schistosoma mansoni tar DNA-binding protein 0.0946 0.3218 0.7946
Brugia malayi topoisomerase 0.0062 0.004 0.004
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0062 0.004 0.0377
Echinococcus granulosus nibrin 0.0062 0.004 0.0125
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2814 0.8744
Trypanosoma cruzi PAB1-binding protein , putative 0.0348 0.1071 1
Brugia malayi hypothetical protein 0.0062 0.004 0.004
Schistosoma mansoni hypothetical protein 0.0075 0.0089 0.0219
Onchocerca volvulus 0.0062 0.004 0.0152
Plasmodium falciparum ataxin-2 like protein, putative 0.0348 0.1071 0.3766
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1722 0.6009 0.6009
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0179 0.0557
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0062 0.004 0.004
Loa Loa (eye worm) MH1 domain-containing protein 0.0193 0.0512 0.0512
Loa Loa (eye worm) Smad1 0.0193 0.0512 0.0512
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0545 0.1777 0.5522

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 6.3096 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) 7.9433 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 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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